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

Systemtic Name: ethyl 4-[4-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]phenyl]-6-(4-dimethylaminophenyl)-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl 4-[4-[(3-chlorobenzothiophene-2-carbonyl)amino]phenyl]-6-(4-dimethylaminophenyl)-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: 4-[4-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]phenyl]-6-(4-dimethylaminophenyl)-2-oxo-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]phenyl]-6-(4-dimethylaminophenyl)-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: 4-[4-[(3-chlorobenzothiophene-2-carbonyl)amino]phenyl]-6-(4-dimethylaminophenyl)-2-keto-cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C32H29ClN2O4S MolecularWeight: 573.10166

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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)N(C)C

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)N(C)C

InChI

InChI=1S/C32H29ClN2O4S/c1-4-39-32(38)28-25(20-11-15-23(16-12-20)35(2)3)17-21(18-26(28)36)19-9-13-22(14-10-19)34-31(37)30-29(33)24-7-5-6-8-27(24)40-30/h5-16,18,25,28H,4,17H2,1-3H3,(H,34,37)