[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-phenylsulfanylethanoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2-phenylsulfanylethanoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 2-phenylsulfanylacetate CAS Name: 2-(phenylthio)acetic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2-phenylsulfanylacetate Traditional Name: 2-(phenylthio)acetic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#N)NC(=O)COC(=O)CSC2=CC=CC=C2

Isomeric SMILES

C1CCC(C1)(C#N)NC(=O)COC(=O)CSC2=CC=CC=C2

InChI

InChI=1S/C16H18N2O3S/c17-12-16(8-4-5-9-16)18-14(19)10-21-15(20)11-22-13-6-2-1-3-7-13/h1-3,6-7H,4-5,8-11H2,(H,18,19)