[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 2-[(phenylmethyl)amino]-1,3-thiazole-4-carboxylate

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 2-[(phenylmethyl)amino]-1,3-thiazole-4-carboxylate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] 2-(benzylamino)thiazole-4-carboxylate CAS Name: 2-[(phenylmethyl)amino]-4-thiazolecarboxylic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(benzylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(benzylamino)thiazole-4-carboxylic acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)COC(=O)C2=CSC(=N2)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)COC(=O)C2=CSC(=N2)NCC3=CC=CC=C3

InChI

InChI=1S/C21H20N2O3S/c1-14-8-9-15(2)17(10-14)19(24)12-26-20(25)18-13-27-21(23-18)22-11-16-6-4-3-5-7-16/h3-10,13H,11-12H2,1-2H3,(H,22,23)