3-[(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)carbamoylamino]benzoic acid

Systemtic Name: 3-[(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)carbamoylamino]benzoic acid Openeye Name: 3-[(1-carboxy-3-methylsulfanyl-propyl)carbamoylamino]benzoic acid CAS Name: 3-[[[[1-hydroxy-4-(methylthio)-1-oxobutan-2-yl]amino]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[(1-hydroxy-4-methylsulfanyl-1-oxobutan-2-yl)carbamoylamino]benzoic acid Traditional Name: 3-[[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=CC(=C1)C(=O)O

Isomeric SMILES

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

InChI

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