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

Systemtic Name: 4-[2-[(1-cyano-1-cyclopropyl-ethyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 4-[2-[(1-cyano-1-cyclopropyl-ethyl)amino]-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 4-[[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl]thio]benzoic acid IUPAC Name: 4-[2-[(1-cyano-1-cyclopropylethyl)amino]-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 4-[[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=C(C=C2)C(=O)O

Isomeric SMILES

CC(C#N)(C1CC1)NC(=O)CSC2=CC=C(C=C2)C(=O)O

InChI

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