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

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 4-(1,3-thiazol-4-ylmethoxy)benzoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 4-(thiazol-4-ylmethoxy)benzoate CAS Name: 4-(4-thiazolylmethoxy)benzoic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 4-(1,3-thiazol-4-ylmethoxy)benzoate Traditional Name: 4-(thiazol-4-ylmethoxy)benzoic 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=CC=C(C=C1)OCC2=CSC=N2)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)COC(=O)C1=CC=C(C=C1)OCC2=CSC=N2)C3(CCCCC3)C#N

InChI

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