[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylate

Systemtic Name: [2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylate Openeye Name: [2-(2-nitroanilino)-2-oxo-ethyl] 2-(3,4-dimethoxyphenyl)thiazole-4-carboxylate CAS Name: 2-(3,4-dimethoxyphenyl)-4-thiazolecarboxylic acid [2-(2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-nitroanilino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylate Traditional Name: 2-(3,4-dimethoxyphenyl)thiazole-4-carboxylic acid [2-keto-2-(2-nitroanilino)ethyl] ester Formula: C20H17N3O7S MolecularWeight: 443.42988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=CS2)C(=O)OCC(=O)NC3=CC=CC=C3[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=CS2)C(=O)OCC(=O)NC3=CC=CC=C3[N+](=O)[O-])OC

InChI

InChI=1S/C20H17N3O7S/c1-28-16-8-7-12(9-17(16)29-2)19-22-14(11-31-19)20(25)30-10-18(24)21-13-5-3-4-6-15(13)23(26)27/h3-9,11H,10H2,1-2H3,(H,21,24)