5479-43-6
ETHYL 7-METHYL-5-OXO-8-THIA-2,4-DIAZABICYCLO[4.3.0]NONA-3,6,9-TRIENE-9-CARBOXYLATE
NameETHYL 7-METHYL-5-OXO-8-THIA-2,4-DIAZABICYCLO[4.3.0]NONA-3,6,9-TRIENE-9-CARBOXYLATE
1Identification
【Name】
ETHYL 7-METHYL-5-OXO-8-THIA-2,4-DIAZABICYCLO[4.3.0]NONA-3,6,9-TRIENE-9-CARBOXYLATE
【CAS】
【MDL】
MFCD19705252
【English Synonyms】
【Formula】
C10 H10 N2 O3 S
【MolWeight】
238.266
【Inchi】
InChI=1S/C10H10N2O3S/c1-3-15-10(14)8-7-6(5(2)16-8)9(13)12-4-11-7/h4H,3H2,1-2H3,(H,11,12,13)
【InChIKey】
InChIKey=QTEVXQPTSXEHKQ-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c2c(c(s1)C)c(=O)nc[nH]2
【MOL File】
ETHYL 7-METHYL-5-OXO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 7-METHYL-5-OXO-8-THIA-2,4-DIAZABICYCLO[4.3.0]NONA-3,6,9-TRIENE-9-CARBOXYLATE.cml