4-[1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl]sulfanylbenzoic acid

Systemtic Name: 4-[1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl]sulfanylbenzoic acid Openeye Name: 4-[2-(cyclopropylamino)-1-methyl-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 4-[[1-(cyclopropylamino)-1-oxopropan-2-yl]thio]benzoic acid IUPAC Name: 4-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfanylbenzoic acid Traditional Name: 4-[[2-(cyclopropylamino)-2-keto-1-methyl-ethyl]thio]benzoic acid Formula: C13H15NO3S MolecularWeight: 265.3281

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)SC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C(=O)NC1CC1)SC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C13H15NO3S/c1-8(12(15)14-10-4-5-10)18-11-6-2-9(3-7-11)13(16)17/h2-3,6-8,10H,4-5H2,1H3,(H,14,15)(H,16,17)