4-[(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)carbamoylamino]benzoic acid

Systemtic Name: 4-[(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)carbamoylamino]benzoic acid Openeye Name: 4-[(1-carboxy-3-methylsulfanyl-propyl)carbamoylamino]benzoic acid CAS Name: 4-[[[[1-hydroxy-4-(methylthio)-1-oxobutan-2-yl]amino]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[(1-hydroxy-4-methylsulfanyl-1-oxobutan-2-yl)carbamoylamino]benzoic acid Traditional Name: 4-[[1-carboxy-3-(methylthio)propyl]carbamoylamino]benzoic acid Formula: C13H16N2O5S MolecularWeight: 312.34154

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)NC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)NC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C13H16N2O5S/c1-21-7-6-10(12(18)19)15-13(20)14-9-4-2-8(3-5-9)11(16)17/h2-5,10H,6-7H2,1H3,(H,16,17)(H,18,19)(H2,14,15,20)