ethyl 4-[4-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]phenyl]-6-(4-methylsulfanylphenyl)-2-oxidanylidene-cyclohex-3-ene-1-carboxylate

Systemtic Name: ethyl 4-[4-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]phenyl]-6-(4-methylsulfanylphenyl)-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl 4-[4-[(3-chlorobenzothiophene-2-carbonyl)amino]phenyl]-6-(4-methylsulfanylphenyl)-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: 4-[4-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]phenyl]-6-[4-(methylthio)phenyl]-2-oxo-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]phenyl]-6-(4-methylsulfanylphenyl)-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: 4-[4-[(3-chlorobenzothiophene-2-carbonyl)amino]phenyl]-2-keto-6-[4-(methylthio)phenyl]cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C31H26ClNO4S2 MolecularWeight: 576.12544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CC(=CC1=O)C2=CC=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl)C5=CC=C(C=C5)SC

Isomeric SMILES

CCOC(=O)C1C(CC(=CC1=O)C2=CC=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl)C5=CC=C(C=C5)SC

InChI

InChI=1S/C31H26ClNO4S2/c1-3-37-31(36)27-24(19-10-14-22(38-2)15-11-19)16-20(17-25(27)34)18-8-12-21(13-9-18)33-30(35)29-28(32)23-6-4-5-7-26(23)39-29/h4-15,17,24,27H,3,16H2,1-2H3,(H,33,35)