5-methoxy-1-(2-methyl-3-sulfanyl-propanoyl)-2,3-dihydroindole-2-carboxylic acid

Systemtic Name: 5-methoxy-1-(2-methyl-3-sulfanyl-propanoyl)-2,3-dihydroindole-2-carboxylic acid Openeye Name: 5-methoxy-1-(2-methyl-3-sulfanyl-propanoyl)indoline-2-carboxylic acid CAS Name: 1-(3-mercapto-2-methyl-1-oxopropyl)-5-methoxy-2,3-dihydroindole-2-carboxylic acid IUPAC Name: 5-methoxy-1-(2-methyl-3-sulfanylpropanoyl)-2,3-dihydroindole-2-carboxylic acid Traditional Name: 1-(3-mercapto-2-methyl-propanoyl)-5-methoxy-indoline-2-carboxylic acid Formula: C14H17NO4S MolecularWeight: 295.35408

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)N1C(CC2=C1C=CC(=C2)OC)C(=O)O

Isomeric SMILES

CC(CS)C(=O)N1C(CC2=C1C=CC(=C2)OC)C(=O)O

InChI

InChI=1S/C14H17NO4S/c1-8(7-20)13(16)15-11-4-3-10(19-2)5-9(11)6-12(15)14(17)18/h3-5,8,12,20H,6-7H2,1-2H3,(H,17,18)