3-[2-carboxy-5-[2-[methyl(oxidanyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pentyl]benzoic acid

Systemtic Name: 3-[2-carboxy-5-[2-[methyl(oxidanyl)amino]-2-oxidanylidene-ethyl]sulfanyl-pentyl]benzoic acid Openeye Name: 3-[2-carboxy-5-[2-[hydroxy(methyl)amino]-2-oxo-ethyl]sulfanyl-pentyl]benzoic acid CAS Name: 3-[2-carboxy-5-[[2-[hydroxy(methyl)amino]-2-oxoethyl]thio]pentyl]benzoic acid IUPAC Name: 3-[2-carboxy-5-[2-[hydroxy(methyl)amino]-2-oxoethyl]sulfanylpentyl]benzoic acid Traditional Name: 3-[2-carboxy-5-[[2-[hydroxy(methyl)amino]-2-keto-ethyl]thio]pentyl]benzoic acid Formula: C16H21NO6S MolecularWeight: 355.40604

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)CSCCCC(CC1=CC=CC(=C1)C(=O)O)C(=O)O)O

Isomeric SMILES

CN(C(=O)CSCCCC(CC1=CC=CC(=C1)C(=O)O)C(=O)O)O

InChI

InChI=1S/C16H21NO6S/c1-17(23)14(18)10-24-7-3-6-13(16(21)22)9-11-4-2-5-12(8-11)15(19)20/h2,4-5,8,13,23H,3,6-7,9-10H2,1H3,(H,19,20)(H,21,22)