[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-methyl-1,3-thiazol-4-yl)ethanoate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-methyl-1,3-thiazol-4-yl)ethanoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 2-(2-methylthiazol-4-yl)acetate CAS Name: 2-(2-methyl-4-thiazolyl)acetic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-(2-methyl-1,3-thiazol-4-yl)acetate Traditional Name: 2-(2-methylthiazol-4-yl)acetic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CC(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2

Isomeric SMILES

CC1=NC(=CS1)CC(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2

InChI

InChI=1S/C17H17N3O3S/c1-13-19-14(12-24-13)10-17(22)23-11-16(21)20(9-5-8-18)15-6-3-2-4-7-15/h2-4,6-7,12H,5,9-11H2,1H3