2-[2-[(1-cyano-1-cyclopropyl-ethyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)CSC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC(C#N)(C1CC1)NC(=O)CSC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C15H16N2O3S/c1-15(9-16,10-6-7-10)17-13(18)8-21-12-5-3-2-4-11(12)14(19)20/h2-5,10H,6-8H2,1H3,(H,17,18)(H,19,20)