52580-57-1
ETHYL 2-[(PHENYLCARBONYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
NameETHYL 2-[(PHENYLCARBONYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
1Identification
【Name】
ETHYL 2-[(PHENYLCARBONYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
【CAS】
【MDL】
MFCD00265063
【English Synonyms】
【Formula】
C18 H19 N O3 S
【MolWeight】
329.418
【Inchi】
InChI=1S/C18H19NO3S/c1-2-22-18(21)15-13-10-6-7-11-14(13)23-17(15)19-16(20)12-8-4-3-5-9-12/h3-5,8-9H,2,6-7,10-11H2,1H3,(H,19,20)
【InChIKey】
InChIKey=NXQQGHWARSPUAH-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c2c(sc1NC(=O)c3ccccc3)CCCC2
【MOL File】
ETHYL 2-[(PHENYLCARB….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 2-[(PHENYLCARBONYL)AMINO]-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE.cml