[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-(2-oxidanylidene-1,3-thiazolidin-3-yl)propanoate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-(2-oxidanylidene-1,3-thiazolidin-3-yl)propanoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 3-(2-oxothiazolidin-3-yl)propanoate CAS Name: 3-(2-oxo-3-thiazolidinyl)propanoic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 3-(2-oxo-1,3-thiazolidin-3-yl)propanoate Traditional Name: 3-(2-ketothiazolidin-3-yl)propionic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C16H17N3O4S MolecularWeight: 347.38888

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=O)N1CCC(=O)OCC(=O)N(CC#N)C2=CC=CC=C2

Isomeric SMILES

C1CSC(=O)N1CCC(=O)OCC(=O)N(CC#N)C2=CC=CC=C2

InChI

InChI=1S/C16H17N3O4S/c17-7-9-19(13-4-2-1-3-5-13)14(20)12-23-15(21)6-8-18-10-11-24-16(18)22/h1-5H,6,8-12H2