[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate

Systemtic Name: [2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Openeye Name: [2-(4-nitroanilino)-2-oxo-ethyl] 2-(thiazol-4-ylmethylsulfanyl)benzoate CAS Name: 2-(4-thiazolylmethylthio)benzoic acid [2-(4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-nitroanilino)-2-oxoethyl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Traditional Name: 2-(thiazol-4-ylmethylthio)benzoic acid [2-keto-2-(4-nitroanilino)ethyl] ester Formula: C19H15N3O5S2 MolecularWeight: 429.4695

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])SCC3=CSC=N3

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])SCC3=CSC=N3

InChI

InChI=1S/C19H15N3O5S2/c23-18(21-13-5-7-15(8-6-13)22(25)26)9-27-19(24)16-3-1-2-4-17(16)29-11-14-10-28-12-20-14/h1-8,10,12H,9,11H2,(H,21,23)