[2-[hexyl-(4-phenyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-cyanobenzoate

Systemtic Name: [2-[hexyl-(4-phenyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 4-cyanobenzoate Openeye Name: [2-[hexyl-(4-phenylthiazol-2-yl)amino]-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-[hexyl-(4-phenyl-2-thiazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[hexyl-(4-phenyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-[hexyl-(4-phenylthiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(C1=NC(=CS1)C2=CC=CC=C2)C(=O)COC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCN(C1=NC(=CS1)C2=CC=CC=C2)C(=O)COC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C25H25N3O3S/c1-2-3-4-8-15-28(25-27-22(18-32-25)20-9-6-5-7-10-20)23(29)17-31-24(30)21-13-11-19(16-26)12-14-21/h5-7,9-14,18H,2-4,8,15,17H2,1H3