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

Systemtic Name: 4-[1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl]sulfanylbenzoic acid Openeye Name: 4-[2-(allylamino)-1-methyl-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 4-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]thio]benzoic acid IUPAC Name: 4-[1-oxo-1-(prop-2-enylamino)propan-2-yl]sulfanylbenzoic acid Traditional Name: 4-[[2-(allylamino)-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)NCC=C)SC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC(C(=O)NCC=C)SC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C13H15NO3S/c1-3-8-14-12(15)9(2)18-11-6-4-10(5-7-11)13(16)17/h3-7,9H,1,8H2,2H3,(H,14,15)(H,16,17)