[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 2-(4-methoxyphenyl)-4-methyl-thiazole-5-carboxylate CAS Name: 2-(4-methoxyphenyl)-4-methyl-5-thiazolecarboxylic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-(4-methoxyphenyl)-4-methyl-thiazole-5-carboxylic 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=C(SC(=N1)C2=CC=C(C=C2)OC)C(=O)OCC(=O)NC3(CCCCC3)C#N

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=C(C=C2)OC)C(=O)OCC(=O)NC3(CCCCC3)C#N

InChI

InChI=1S/C21H23N3O4S/c1-14-18(29-19(23-14)15-6-8-16(27-2)9-7-15)20(26)28-12-17(25)24-21(13-22)10-4-3-5-11-21/h6-9H,3-5,10-12H2,1-2H3,(H,24,25)