[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CSC(=N2)C3=CC=CS3

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CSC(=N2)C3=CC=CS3

InChI

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