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

Systemtic Name: [2-[(3-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)ethanoate Openeye Name: [2-(3-nitroanilino)-2-oxo-ethyl] 2-[2-(3-thienyl)thiazol-4-yl]acetate CAS Name: 2-[2-(3-thiophenyl)-4-thiazolyl]acetic acid [2-(3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-nitroanilino)-2-oxoethyl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate Traditional Name: 2-[2-(3-thienyl)thiazol-4-yl]acetic acid [2-keto-2-(3-nitroanilino)ethyl] ester Formula: C17H13N3O5S2 MolecularWeight: 403.43222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)CC2=CSC(=N2)C3=CSC=C3

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)CC2=CSC(=N2)C3=CSC=C3

InChI

InChI=1S/C17H13N3O5S2/c21-15(18-12-2-1-3-14(6-12)20(23)24)8-25-16(22)7-13-10-27-17(19-13)11-4-5-26-9-11/h1-6,9-10H,7-8H2,(H,18,21)