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

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 4-[(2-methylthiazol-4-yl)methoxy]benzoate CAS Name: 4-[(2-methyl-4-thiazolyl)methoxy]benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate Traditional Name: 4-[(2-methylthiazol-4-yl)methoxy]benzoic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)COC2=CC=C(C=C2)C(=O)OCC(=O)NC3(CCCCC3)C#N

Isomeric SMILES

CC1=NC(=CS1)COC2=CC=C(C=C2)C(=O)OCC(=O)NC3(CCCCC3)C#N

InChI

InChI=1S/C21H23N3O4S/c1-15-23-17(13-29-15)11-27-18-7-5-16(6-8-18)20(26)28-12-19(25)24-21(14-22)9-3-2-4-10-21/h5-8,13H,2-4,9-12H2,1H3,(H,24,25)