[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-[(2-methylthiazol-4-yl)methoxy]benzoate CAS Name: 2-[(2-methyl-4-thiazolyl)methoxy]benzoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate Traditional Name: 2-[(2-methylthiazol-4-yl)methoxy]benzoic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)COC2=CC=CC=C2C(=O)OCC(=O)NCCC#N

Isomeric SMILES

CC1=NC(=CS1)COC2=CC=CC=C2C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C17H17N3O4S/c1-12-20-13(11-25-12)9-23-15-6-3-2-5-14(15)17(22)24-10-16(21)19-8-4-7-18/h2-3,5-6,11H,4,8-10H2,1H3,(H,19,21)