[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 2-[(2-methylthiazol-4-yl)methylsulfanyl]benzoate CAS Name: 2-[(2-methyl-4-thiazolyl)methylthio]benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Traditional Name: 2-[(2-methylthiazol-4-yl)methylthio]benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CSC2=CC=CC=C2C(=O)OCC(=O)NC3(CCCCC3)C#N

Isomeric SMILES

CC1=NC(=CS1)CSC2=CC=CC=C2C(=O)OCC(=O)NC3(CCCCC3)C#N

InChI

InChI=1S/C21H23N3O3S2/c1-15-23-16(12-28-15)13-29-18-8-4-3-7-17(18)20(26)27-11-19(25)24-21(14-22)9-5-2-6-10-21/h3-4,7-8,12H,2,5-6,9-11,13H2,1H3,(H,24,25)