2-[2-(cyanomethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-(cyanomethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-(cyanomethylamino)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-(cyanomethylamino)-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-(cyanomethylamino)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-(cyanomethylamino)-2-keto-ethyl]thio]benzoic acid Formula: C11H10N2O3S MolecularWeight: 250.2737

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)SCC(=O)NCC#N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)SCC(=O)NCC#N

InChI

InChI=1S/C11H10N2O3S/c12-5-6-13-10(14)7-17-9-4-2-1-3-8(9)11(15)16/h1-4H,6-7H2,(H,13,14)(H,15,16)