4-[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 4-[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 4-[2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 4-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]thio]benzoic acid IUPAC Name: 4-[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 4-[[2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl]thio]benzoic acid Formula: C15H16N2O3S MolecularWeight: 304.36414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O3S/c16-10-15(7-1-2-8-15)17-13(18)9-21-12-5-3-11(4-6-12)14(19)20/h3-6H,1-2,7-9H2,(H,17,18)(H,19,20)