4-[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl]sulfanylbenzoic acid

Systemtic Name: 4-[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl]sulfanylbenzoic acid Openeye Name: 4-[2-(isopropylcarbamoylamino)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 4-[[2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl]thio]benzoic acid IUPAC Name: 4-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]sulfanylbenzoic acid Traditional Name: 4-[[2-(isopropylcarbamoylamino)-2-keto-ethyl]thio]benzoic acid Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)CSC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC(C)NC(=O)NC(=O)CSC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C13H16N2O4S/c1-8(2)14-13(19)15-11(16)7-20-10-5-3-9(4-6-10)12(17)18/h3-6,8H,7H2,1-2H3,(H,17,18)(H2,14,15,16,19)