[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-[2-(3-phenoxyphenyl)-1,3-thiazol-4-yl]ethanoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-[2-(3-phenoxyphenyl)-1,3-thiazol-4-yl]ethanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-[2-(3-phenoxyphenyl)thiazol-4-yl]acetate CAS Name: 2-[2-(3-phenoxyphenyl)-4-thiazolyl]acetic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-[2-(3-phenoxyphenyl)-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-(3-phenoxyphenyl)thiazol-4-yl]acetic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=CC(=C2)C3=NC(=CS3)CC(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=CC(=C2)C3=NC(=CS3)CC(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C22H19N3O4S/c23-10-5-11-24-20(26)14-28-21(27)13-17-15-30-22(25-17)16-6-4-9-19(12-16)29-18-7-2-1-3-8-18/h1-4,6-9,12,15H,5,11,13-14H2,(H,24,26)