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

Systemtic Name: 4-[1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl]sulfanylbenzoic acid Openeye Name: 4-[2-(ethylcarbamoylamino)-1-methyl-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 4-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]thio]benzoic acid IUPAC Name: 4-[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]sulfanylbenzoic acid Traditional Name: 4-[[2-(ethylcarbamoylamino)-2-keto-1-methyl-ethyl]thio]benzoic acid Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O4S/c1-3-14-13(19)15-11(16)8(2)20-10-6-4-9(5-7-10)12(17)18/h4-8H,3H2,1-2H3,(H,17,18)(H2,14,15,16,19)