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

Systemtic Name: 2-[(2-acetamido-3-methoxy-3-oxidanylidene-propyl)sulfanylmethyl]-3-oxidanylidene-1,2-dihydroindene-1-carboxylic acid Openeye Name: 2-[(2-acetamido-3-methoxy-3-oxo-propyl)sulfanylmethyl]-3-oxo-indane-1-carboxylic acid CAS Name: 2-[[(2-acetamido-3-methoxy-3-oxopropyl)thio]methyl]-3-oxo-1,2-dihydroindene-1-carboxylic acid IUPAC Name: 2-[(2-acetamido-3-methoxy-3-oxopropyl)sulfanylmethyl]-3-oxo-1,2-dihydroindene-1-carboxylic acid Traditional Name: 2-[[(2-acetamido-3-keto-3-methoxy-propyl)thio]methyl]-3-keto-indane-1-carboxylic acid Formula: C17H19NO6S MolecularWeight: 365.40086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO6S/c1-9(19)18-13(17(23)24-2)8-25-7-12-14(16(21)22)10-5-3-4-6-11(10)15(12)20/h3-6,12-14H,7-8H2,1-2H3,(H,18,19)(H,21,22)