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

Systemtic Name: 4-[1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl]sulfanylbenzoic acid Openeye Name: 4-[1-methyl-2-(methylcarbamoylamino)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 4-[[1-(methylcarbamoylamino)-1-oxopropan-2-yl]thio]benzoic acid IUPAC Name: 4-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]sulfanylbenzoic acid Traditional Name: 4-[[2-keto-1-methyl-2-(methylcarbamoylamino)ethyl]thio]benzoic acid Formula: C12H14N2O4S MolecularWeight: 282.31556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O4S/c1-7(10(15)14-12(18)13-2)19-9-5-3-8(4-6-9)11(16)17/h3-7H,1-2H3,(H,16,17)(H2,13,14,15,18)