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

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-[(phenylmethyl)amino]-1,3-thiazole-4-carboxylate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 2-(benzylamino)thiazole-4-carboxylate CAS Name: 2-[(phenylmethyl)amino]-4-thiazolecarboxylic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2-(benzylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(benzylamino)thiazole-4-carboxylic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C20H17N3O5S MolecularWeight: 411.43108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CSC(=N2)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CSC(=N2)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O5S/c1-13-7-8-15(9-17(13)23(26)27)18(24)11-28-19(25)16-12-29-20(22-16)21-10-14-5-3-2-4-6-14/h2-9,12H,10-11H2,1H3,(H,21,22)