[2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 2-[(2,3-dimethylphenyl)amino]benzoate

Systemtic Name: [2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 2-[(2,3-dimethylphenyl)amino]benzoate Openeye Name: [2-(5-chloro-2-thienyl)-2-oxo-ethyl] 2-(2,3-dimethylanilino)benzoate CAS Name: 2-(2,3-dimethylanilino)benzoic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 2-(2,3-dimethylanilino)benzoate Traditional Name: 2-(2,3-dimethylanilino)benzoic acid [2-(5-chloro-2-thienyl)-2-keto-ethyl] ester Formula: C21H18ClNO3S MolecularWeight: 399.89052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)OCC(=O)C3=CC=C(S3)Cl)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)OCC(=O)C3=CC=C(S3)Cl)C

InChI

InChI=1S/C21H18ClNO3S/c1-13-6-5-9-16(14(13)2)23-17-8-4-3-7-15(17)21(25)26-12-18(24)19-10-11-20(22)27-19/h3-11,23H,12H2,1-2H3