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

Systemtic Name: 2-[(4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)carbamoyl]benzoic acid Openeye Name: 2-[(1-carboxy-3-methylsulfanyl-propyl)carbamoyl]benzoic acid CAS Name: 2-[[[1-hydroxy-4-(methylthio)-1-oxobutan-2-yl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[(1-hydroxy-4-methylsulfanyl-1-oxobutan-2-yl)carbamoyl]benzoic acid Traditional Name: 2-[[1-carboxy-3-(methylthio)propyl]carbamoyl]benzoic acid Formula: C13H15NO5S MolecularWeight: 297.3269

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=CC=CC=C1C(=O)O

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)C1=CC=CC=C1C(=O)O

InChI

InChI=1S/C13H15NO5S/c1-20-7-6-10(13(18)19)14-11(15)8-4-2-3-5-9(8)12(16)17/h2-5,10H,6-7H2,1H3,(H,14,15)(H,16,17)(H,18,19)