[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-1-phenyl-ethyl] 3-chlorobenzothiophene-2-carboxylate CAS Name: 3-chloro-1-benzothiophene-2-carboxylic acid [2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chlorobenzothiophene-2-carboxylic acid [2-(3,5-dimethylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C25H20ClNO3S MolecularWeight: 449.9492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=C(C4=CC=CC=C4S3)Cl)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=C(C4=CC=CC=C4S3)Cl)C

InChI

InChI=1S/C25H20ClNO3S/c1-15-12-16(2)14-18(13-15)27-24(28)22(17-8-4-3-5-9-17)30-25(29)23-21(26)19-10-6-7-11-20(19)31-23/h3-14,22H,1-2H3,(H,27,28)