2-[1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylbenzoic acid

Systemtic Name: 2-[1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylbenzoic acid Openeye Name: 2-[2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[1-(2-cyanoanilino)-1-oxopropan-2-yl]thio]benzoic acid IUPAC Name: 2-[1-(2-cyanoanilino)-1-oxopropan-2-yl]sulfanylbenzoic acid Traditional Name: 2-[[2-(2-cyanoanilino)-2-keto-1-methyl-ethyl]thio]benzoic acid Formula: C17H14N2O3S MolecularWeight: 326.36966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)SC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C#N)SC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C17H14N2O3S/c1-11(23-15-9-5-3-7-13(15)17(21)22)16(20)19-14-8-4-2-6-12(14)10-18/h2-9,11H,1H3,(H,19,20)(H,21,22)