[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-[1-(1,3-benzothiazol-2-ylmethyl)cyclohexyl]ethanoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-[1-(1,3-benzothiazol-2-ylmethyl)cyclohexyl]ethanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-[1-(1,3-benzothiazol-2-ylmethyl)cyclohexyl]acetate CAS Name: 2-[1-(1,3-benzothiazol-2-ylmethyl)cyclohexyl]acetic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-[1-(1,3-benzothiazol-2-ylmethyl)cyclohexyl]acetate Traditional Name: 2-[1-(1,3-benzothiazol-2-ylmethyl)cyclohexyl]acetic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CC2=NC3=CC=CC=C3S2)CC(=O)OCC(=O)NCCC#N

Isomeric SMILES

C1CCC(CC1)(CC2=NC3=CC=CC=C3S2)CC(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C21H25N3O3S/c22-11-6-12-23-18(25)15-27-20(26)14-21(9-4-1-5-10-21)13-19-24-16-7-2-3-8-17(16)28-19/h2-3,7-8H,1,4-6,9-10,12-15H2,(H,23,25)