[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethanoate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)ethanoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 2-[2-phenyl-4-(2-thienyl)thiazol-5-yl]acetate CAS Name: 2-(2-phenyl-4-thiophen-2-yl-5-thiazolyl)acetic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-(2-phenyl-4-thiophen-2-yl-1,3-thiazol-5-yl)acetate Traditional Name: 2-[2-phenyl-4-(2-thienyl)thiazol-5-yl]acetic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C26H21N3O3S2 MolecularWeight: 487.59324

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=C(S2)CC(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=C(S2)CC(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C26H21N3O3S2/c27-14-8-15-29(20-11-5-2-6-12-20)23(30)18-32-24(31)17-22-25(21-13-7-16-33-21)28-26(34-22)19-9-3-1-4-10-19/h1-7,9-13,16H,8,15,17-18H2