4-[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl]sulfanylbenzoic acid

Systemtic Name: 4-[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl]sulfanylbenzoic acid Openeye Name: 4-[2-(allylcarbamoylamino)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 4-[[2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl]thio]benzoic acid IUPAC Name: 4-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]sulfanylbenzoic acid Traditional Name: 4-[[2-(allylcarbamoylamino)-2-keto-ethyl]thio]benzoic acid Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O4S/c1-2-7-14-13(19)15-11(16)8-20-10-5-3-9(4-6-10)12(17)18/h2-6H,1,7-8H2,(H,17,18)(H2,14,15,16,19)