2-[[1-oxidanyl-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]carbamoyl]benzoic acid

Systemtic Name: 2-[[1-oxidanyl-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]carbamoyl]benzoic acid Openeye Name: 2-[[1-(benzylsulfanylmethyl)-2-hydroxy-2-oxo-ethyl]carbamoyl]benzoic acid CAS Name: 2-[[[1-hydroxy-1-oxo-3-(phenylmethylthio)propan-2-yl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[(3-benzylsulfanyl-1-hydroxy-1-oxopropan-2-yl)carbamoyl]benzoic acid Traditional Name: 2-[[1-[(benzylthio)methyl]-2-hydroxy-2-keto-ethyl]carbamoyl]benzoic acid Formula: C18H17NO5S MolecularWeight: 359.39628

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(C(=O)O)NC(=O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSCC(C(=O)O)NC(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C18H17NO5S/c20-16(13-8-4-5-9-14(13)17(21)22)19-15(18(23)24)11-25-10-12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,19,20)(H,21,22)(H,23,24)