2-[1-oxidanylidene-1-(prop-2-ynylamino)propan-2-yl]sulfanylbenzoic acid

Systemtic Name: 2-[1-oxidanylidene-1-(prop-2-ynylamino)propan-2-yl]sulfanylbenzoic acid Openeye Name: 2-[1-methyl-2-oxo-2-(prop-2-ynylamino)ethyl]sulfanylbenzoic acid CAS Name: 2-[[1-oxo-1-(prop-2-ynylamino)propan-2-yl]thio]benzoic acid IUPAC Name: 2-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]sulfanylbenzoic acid Traditional Name: 2-[[2-keto-1-methyl-2-(propargylamino)ethyl]thio]benzoic acid Formula: C13H13NO3S MolecularWeight: 263.31222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC#C)SC1=CC=CC=C1C(=O)O

Isomeric SMILES

CC(C(=O)NCC#C)SC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C13H13NO3S/c1-3-8-14-12(15)9(2)18-11-7-5-4-6-10(11)13(16)17/h1,4-7,9H,8H2,2H3,(H,14,15)(H,16,17)