7-[(2R)-2-acetamido-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl-8-oxidanyl-7,8-dihydronaphthalene-2-carboxylic acid

Systemtic Name: 7-[(2R)-2-acetamido-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl-8-oxidanyl-7,8-dihydronaphthalene-2-carboxylic acid Openeye Name: 7-[(2R)-2-acetamido-3-hydroxy-3-oxo-propyl]sulfanyl-8-hydroxy-7,8-dihydronaphthalene-2-carboxylic acid CAS Name: 7-[[(2R)-2-acetamido-3-hydroxy-3-oxopropyl]thio]-8-hydroxy-7,8-dihydronaphthalene-2-carboxylic acid IUPAC Name: 7-[(2R)-2-acetamido-3-hydroxy-3-oxopropyl]sulfanyl-8-hydroxy-7,8-dihydronaphthalene-2-carboxylic acid Traditional Name: 7-[[(2R)-2-acetamido-3-hydroxy-3-keto-propyl]thio]-8-hydroxy-7,8-dihydronaphthalene-2-carboxylic acid Formula: C16H17NO6S MolecularWeight: 351.37428

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1C=CC2=C(C1O)C=C(C=C2)C(=O)O)C(=O)O

Isomeric SMILES

CC(=O)N[C@@H](CSC1C=CC2=C(C1O)C=C(C=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C16H17NO6S/c1-8(18)17-12(16(22)23)7-24-13-5-4-9-2-3-10(15(20)21)6-11(9)14(13)19/h2-6,12-14,19H,7H2,1H3,(H,17,18)(H,20,21)(H,22,23)/t12-,13?,14?/m0/s1