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

Systemtic Name: 2-[2-(methylamino)-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-(methylamino)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-(methylamino)-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-(methylamino)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-keto-2-(methylamino)ethyl]thio]benzoic acid Formula: C10H11NO3S MolecularWeight: 225.26424

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CSC1=CC=CC=C1C(=O)O

Isomeric SMILES

CNC(=O)CSC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C10H11NO3S/c1-11-9(12)6-15-8-5-3-2-4-7(8)10(13)14/h2-5H,6H2,1H3,(H,11,12)(H,13,14)