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

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] 2-(3,4-dimethoxyphenyl)thiazole-4-carboxylate CAS Name: 2-(3,4-dimethoxyphenyl)-4-thiazolecarboxylic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carboxylate Traditional Name: 2-(3,4-dimethoxyphenyl)thiazole-4-carboxylic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=CS2)C(=O)OCC(=O)NCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=CS2)C(=O)OCC(=O)NCC3=CC=CC=C3)OC

InChI

InChI=1S/C21H20N2O5S/c1-26-17-9-8-15(10-18(17)27-2)20-23-16(13-29-20)21(25)28-12-19(24)22-11-14-6-4-3-5-7-14/h3-10,13H,11-12H2,1-2H3,(H,22,24)