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

Systemtic Name: ethyl 4-[4-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]phenyl]-2-oxidanylidene-6-phenyl-cyclohex-3-ene-1-carboxylate Openeye Name: ethyl 4-[4-[(3-chlorobenzothiophene-2-carbonyl)amino]phenyl]-2-oxo-6-phenyl-cyclohex-3-ene-1-carboxylate CAS Name: 4-[4-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]phenyl]-2-oxo-6-phenyl-1-cyclohex-3-enecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]phenyl]-2-oxo-6-phenylcyclohex-3-ene-1-carboxylate Traditional Name: 4-[4-[(3-chlorobenzothiophene-2-carbonyl)amino]phenyl]-2-keto-6-phenyl-cyclohex-3-ene-1-carboxylic acid ethyl ester Formula: C30H24ClNO4S MolecularWeight: 530.03386

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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

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

InChI

InChI=1S/C30H24ClNO4S/c1-2-36-30(35)26-23(19-8-4-3-5-9-19)16-20(17-24(26)33)18-12-14-21(15-13-18)32-29(34)28-27(31)22-10-6-7-11-25(22)37-28/h3-15,17,23,26H,2,16H2,1H3,(H,32,34)