[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate

Systemtic Name: [2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate Openeye Name: [2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl] 2-(2-thienyl)thiazole-4-carboxylate CAS Name: 2-thiophen-2-yl-4-thiazolecarboxylic acid [2-(2-methyl-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-5-nitroanilino)-2-oxoethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate Traditional Name: 2-(2-thienyl)thiazole-4-carboxylic acid [2-keto-2-(2-methyl-5-nitro-anilino)ethyl] ester Formula: C17H13N3O5S2 MolecularWeight: 403.43222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CSC(=N2)C3=CC=CS3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CSC(=N2)C3=CC=CS3

InChI

InChI=1S/C17H13N3O5S2/c1-10-4-5-11(20(23)24)7-12(10)18-15(21)8-25-17(22)13-9-27-16(19-13)14-3-2-6-26-14/h2-7,9H,8H2,1H3,(H,18,21)