[2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 3-(4-chlorophenyl)sulfanylpropanoate

Systemtic Name: [2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 3-(4-chlorophenyl)sulfanylpropanoate Openeye Name: [2-[(5-nitrothiazol-2-yl)amino]-2-oxo-ethyl] 3-(4-chlorophenyl)sulfanylpropanoate CAS Name: 3-[(4-chlorophenyl)thio]propanoic acid [2-[(5-nitro-2-thiazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-chlorophenyl)thio]propionic acid [2-keto-2-[(5-nitrothiazol-2-yl)amino]ethyl] ester Formula: C14H12ClN3O5S2 MolecularWeight: 401.84518

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCCC(=O)OCC(=O)NC2=NC=C(S2)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1SCCC(=O)OCC(=O)NC2=NC=C(S2)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H12ClN3O5S2/c15-9-1-3-10(4-2-9)24-6-5-13(20)23-8-11(19)17-14-16-7-12(25-14)18(21)22/h1-4,7H,5-6,8H2,(H,16,17,19)