ethyl 2-benzamido-7-oxidanylidene-6-phenylsulfanyl-5,6-dihydro-4H-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-benzamido-7-oxidanylidene-6-phenylsulfanyl-5,6-dihydro-4H-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-benzamido-7-oxo-6-phenylsulfanyl-5,6-dihydro-4H-benzothiophene-3-carboxylate CAS Name: 2-benzamido-7-oxo-6-(phenylthio)-5,6-dihydro-4H-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-benzamido-7-oxo-6-phenylsulfanyl-5,6-dihydro-4H-1-benzothiophene-3-carboxylate Traditional Name: 2-benzamido-7-keto-6-(phenylthio)-5,6-dihydro-4H-benzothiophene-3-carboxylic acid ethyl ester Formula: C24H21NO4S2 MolecularWeight: 451.55784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2=O)SC3=CC=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2=O)SC3=CC=CC=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C24H21NO4S2/c1-2-29-24(28)19-17-13-14-18(30-16-11-7-4-8-12-16)20(26)21(17)31-23(19)25-22(27)15-9-5-3-6-10-15/h3-12,18H,2,13-14H2,1H3,(H,25,27)