[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)CCC1=NC2=CC=CC=C2S1)C3(CCCCC3)C#N

Isomeric SMILES

CN(C(=O)COC(=O)CCC1=NC2=CC=CC=C2S1)C3(CCCCC3)C#N

InChI

InChI=1S/C20H23N3O3S/c1-23(20(14-21)11-5-2-6-12-20)18(24)13-26-19(25)10-9-17-22-15-7-3-4-8-16(15)27-17/h3-4,7-8H,2,5-6,9-13H2,1H3