2-[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-[4-(cyanomethyl)anilino]-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-[4-(cyanomethyl)anilino]-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-[4-(cyanomethyl)anilino]-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-[4-(cyanomethyl)anilino]-2-keto-ethyl]thio]benzoic acid Formula: C17H14N2O3S MolecularWeight: 326.36966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)SCC(=O)NC2=CC=C(C=C2)CC#N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)SCC(=O)NC2=CC=C(C=C2)CC#N

InChI

InChI=1S/C17H14N2O3S/c18-10-9-12-5-7-13(8-6-12)19-16(20)11-23-15-4-2-1-3-14(15)17(21)22/h1-8H,9,11H2,(H,19,20)(H,21,22)