[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-chloranyl-6-methoxy-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[(3-methoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-chloranyl-6-methoxy-1-benzothiophene-2-carboxylate Openeye Name: [2-(3-methoxyanilino)-2-oxo-1-phenyl-ethyl] 3-chloro-6-methoxy-benzothiophene-2-carboxylate CAS Name: 3-chloro-6-methoxy-1-benzothiophene-2-carboxylic acid [2-(3-methoxyanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 3-chloro-6-methoxy-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-methoxy-benzothiophene-2-carboxylic acid [2-keto-2-(m-anisidino)-1-phenyl-ethyl] ester Formula: C25H20ClNO5S MolecularWeight: 481.948

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(S2)C(=O)OC(C3=CC=CC=C3)C(=O)NC4=CC(=CC=C4)OC)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(S2)C(=O)OC(C3=CC=CC=C3)C(=O)NC4=CC(=CC=C4)OC)Cl

InChI

InChI=1S/C25H20ClNO5S/c1-30-17-10-6-9-16(13-17)27-24(28)22(15-7-4-3-5-8-15)32-25(29)23-21(26)19-12-11-18(31-2)14-20(19)33-23/h3-14,22H,1-2H3,(H,27,28)