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

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 2-(4-methoxyphenyl)thiazole-4-carboxylate CAS Name: 2-(4-methoxyphenyl)-4-thiazolecarboxylic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate Traditional Name: 2-(4-methoxyphenyl)thiazole-4-carboxylic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)C1=CSC(=N1)C2=CC=C(C=C2)OC)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)COC(=O)C1=CSC(=N1)C2=CC=C(C=C2)OC)C3(CCCCC3)C#N

InChI

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