[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 5-(1,3-benzothiazol-2-yl)pentanoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 5-(1,3-benzothiazol-2-yl)pentanoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 5-(1,3-benzothiazol-2-yl)pentanoate CAS Name: 5-(1,3-benzothiazol-2-yl)pentanoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 5-(1,3-benzothiazol-2-yl)pentanoate Traditional Name: 5-(1,3-benzothiazol-2-yl)valeric acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#N)NC(=O)COC(=O)CCCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1CCC(C1)(C#N)NC(=O)COC(=O)CCCCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H23N3O3S/c21-14-20(11-5-6-12-20)23-17(24)13-26-19(25)10-4-3-9-18-22-15-7-1-2-8-16(15)27-18/h1-2,7-8H,3-6,9-13H2,(H,23,24)