2-[(2-acetamido-3-oxidanyl-3-oxidanylidene-propyl)sulfanylmethyl]-3-oxidanylidene-1,2-dihydroindene-1-carboxylic acid

Systemtic Name: 2-[(2-acetamido-3-oxidanyl-3-oxidanylidene-propyl)sulfanylmethyl]-3-oxidanylidene-1,2-dihydroindene-1-carboxylic acid Openeye Name: 2-[(2-acetamido-3-hydroxy-3-oxo-propyl)sulfanylmethyl]-3-oxo-indane-1-carboxylic acid CAS Name: 2-[[(2-acetamido-3-hydroxy-3-oxopropyl)thio]methyl]-3-oxo-1,2-dihydroindene-1-carboxylic acid IUPAC Name: 2-[(2-acetamido-3-hydroxy-3-oxopropyl)sulfanylmethyl]-3-oxo-1,2-dihydroindene-1-carboxylic acid Traditional Name: 2-[[(2-acetamido-3-hydroxy-3-keto-propyl)thio]methyl]-3-keto-indane-1-carboxylic acid Formula: C16H17NO6S MolecularWeight: 351.37428

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSCC1C(C2=CC=CC=C2C1=O)C(=O)O)C(=O)O

Isomeric SMILES

CC(=O)NC(CSCC1C(C2=CC=CC=C2C1=O)C(=O)O)C(=O)O

InChI

InChI=1S/C16H17NO6S/c1-8(18)17-12(15(20)21)7-24-6-11-13(16(22)23)9-4-2-3-5-10(9)14(11)19/h2-5,11-13H,6-7H2,1H3,(H,17,18)(H,20,21)(H,22,23)