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

Systemtic Name: 2-[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: 2-[2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]thio]benzoate IUPAC Name: 2-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl]thio]benzoate Formula: C15H15N2O3S- MolecularWeight: 303.3562

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#N)NC(=O)CSC2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

C1CCC(C1)(C#N)NC(=O)CSC2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C15H16N2O3S/c16-10-15(7-3-4-8-15)17-13(18)9-21-12-6-2-1-5-11(12)14(19)20/h1-2,5-6H,3-4,7-9H2,(H,17,18)(H,19,20)/p-1