[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-(1,3-benzothiazol-2-yl)benzoate

Systemtic Name: [2-[(3-methoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 2-(1,3-benzothiazol-2-yl)benzoate Openeye Name: [2-(3-methoxyanilino)-2-oxo-1-phenyl-ethyl] 2-(1,3-benzothiazol-2-yl)benzoate CAS Name: 2-(1,3-benzothiazol-2-yl)benzoic acid [2-(3-methoxyanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-(1,3-benzothiazol-2-yl)benzoate Traditional Name: 2-(1,3-benzothiazol-2-yl)benzoic acid [2-keto-2-(m-anisidino)-1-phenyl-ethyl] ester Formula: C29H22N2O4S MolecularWeight: 494.56098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3C4=NC5=CC=CC=C5S4

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C29H22N2O4S/c1-34-21-13-9-12-20(18-21)30-27(32)26(19-10-3-2-4-11-19)35-29(33)23-15-6-5-14-22(23)28-31-24-16-7-8-17-25(24)36-28/h2-18,26H,1H3,(H,30,32)