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

Systemtic Name: [2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate Openeye Name: [2-(3-nitroanilino)-2-oxo-ethyl] 2-(2-thienyl)thiazole-4-carboxylate CAS Name: 2-thiophen-2-yl-4-thiazolecarboxylic acid [2-(3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-nitroanilino)-2-oxoethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate Traditional Name: 2-(2-thienyl)thiazole-4-carboxylic acid [2-keto-2-(3-nitroanilino)ethyl] ester Formula: C16H11N3O5S2 MolecularWeight: 389.40564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11N3O5S2/c20-14(17-10-3-1-4-11(7-10)19(22)23)8-24-16(21)12-9-26-15(18-12)13-5-2-6-25-13/h1-7,9H,8H2,(H,17,20)