4-[2-[(2-cyano-3-methyl-butan-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 4-[2-[(2-cyano-3-methyl-butan-2-yl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 4-[2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 4-[[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl]thio]benzoic acid IUPAC Name: 4-[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 4-[[2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-keto-ethyl]thio]benzoic acid Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)CSC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)CSC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C15H18N2O3S/c1-10(2)15(3,9-16)17-13(18)8-21-12-6-4-11(5-7-12)14(19)20/h4-7,10H,8H2,1-3H3,(H,17,18)(H,19,20)