106447-41-0
7-AMINO-8-OXO-3-(CIS-PROP-1-ENYL)-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID DIPHENYLMETHYL ESTER HYDROCHLORIDE
Name7-AMINO-8-OXO-3-(CIS-PROP-1-ENYL)-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID DIPHENYLMETHYL ESTER HYDROCHLORIDE
FormulaC23 H22 N2 O3 S . Cl H
1Identification
【Name】
7-AMINO-8-OXO-3-(CIS-PROP-1-ENYL)-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID DIPHENYLMETHYL ESTER HYDROCHLORIDE
【CAS】
【MDL】
MFCD08458218
【English Synonyms】
【Formula】
C23 H22 N2 O3 S . Cl H
【MolWeight】
442.965
【Inchi】
InChI=1S/C23H22N2O3S.ClH/c1-2-9-17-14-29-22-18(24)21(26)25(22)19(17)23(27)28-20(15-10-5-3-6-11-15)16-12-7-4-8-13-16;/h2-13,18,20,22H,14,24H2,1H3;1H/b9-2-;
【InChIKey】
InChIKey=BZFZFEUVSJDIEZ-LABXZRATSA-N
【SMILES】
C/C=C\C1=C(N2C(C(C2=O)N)SC1)C(=O)OC(c3ccccc3)c4ccccc4.Cl
【MOL File】
7-AMINO-8-OXO-3-(CIS….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
7-AMINO-8-OXO-3-(CIS-PROP-1-ENYL)-5-THIA-1-AZABICYCLO[4.2.0]OCT-2-ENE-2-CARBOXYLIC ACID DIPHENYLMETHYL ESTER HYDROCHLORIDE.cml