[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 1,3-benzothiazole-6-carboxylate

Systemtic Name: [2-[(3-methoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 1,3-benzothiazole-6-carboxylate Openeye Name: [2-(3-methoxyanilino)-2-oxo-1-phenyl-ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [2-(3-methoxyanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [2-keto-2-(m-anisidino)-1-phenyl-ethyl] ester Formula: C23H18N2O4S MolecularWeight: 418.46502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C23H18N2O4S/c1-28-18-9-5-8-17(13-18)25-22(26)21(15-6-3-2-4-7-15)29-23(27)16-10-11-19-20(12-16)30-14-24-19/h2-14,21H,1H3,(H,25,26)