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

Systemtic Name: ethyl 4-[4-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]phenyl]-6-(2-nitrophenyl)-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl 4-[4-[(3-chlorobenzothiophene-2-carbonyl)amino]phenyl]-6-(2-nitrophenyl)-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: 4-[4-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]phenyl]-6-(2-nitrophenyl)-2-oxo-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]phenyl]-6-(2-nitrophenyl)-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: 4-[4-[(3-chlorobenzothiophene-2-carbonyl)amino]phenyl]-2-keto-6-(2-nitrophenyl)cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C30H23ClN2O6S MolecularWeight: 575.03142

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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=CC=C5[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1C(CC(=CC1=O)C2=CC=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl)C5=CC=CC=C5[N+](=O)[O-]

InChI

InChI=1S/C30H23ClN2O6S/c1-2-39-30(36)26-22(20-7-3-5-9-23(20)33(37)38)15-18(16-24(26)34)17-11-13-19(14-12-17)32-29(35)28-27(31)21-8-4-6-10-25(21)40-28/h3-14,16,22,26H,2,15H2,1H3,(H,32,35)