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

Systemtic Name: 2-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-(cyclopropylamino)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-(cyclopropylamino)-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-(cyclopropylamino)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-(cyclopropylamino)-2-keto-ethyl]thio]benzoic acid Formula: C12H13NO3S MolecularWeight: 251.30152

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)CSC2=CC=CC=C2C(=O)O

Isomeric SMILES

C1CC1NC(=O)CSC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C12H13NO3S/c14-11(13-8-5-6-8)7-17-10-4-2-1-3-9(10)12(15)16/h1-4,8H,5-7H2,(H,13,14)(H,15,16)