2-(2-methyl-3-sulfanyl-propanoyl)-1-oxidanylidene-3,4-dihydroisoquinoline-3-carboxylic acid

Systemtic Name: 2-(2-methyl-3-sulfanyl-propanoyl)-1-oxidanylidene-3,4-dihydroisoquinoline-3-carboxylic acid Openeye Name: 2-(2-methyl-3-sulfanyl-propanoyl)-1-oxo-3,4-dihydroisoquinoline-3-carboxylic acid CAS Name: 2-(3-mercapto-2-methyl-1-oxopropyl)-1-oxo-3,4-dihydroisoquinoline-3-carboxylic acid IUPAC Name: 2-(2-methyl-3-sulfanylpropanoyl)-1-oxo-3,4-dihydroisoquinoline-3-carboxylic acid Traditional Name: 1-keto-2-(3-mercapto-2-methyl-propanoyl)-3,4-dihydroisoquinoline-3-carboxylic acid Formula: C14H15NO4S MolecularWeight: 293.3382

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)N1C(CC2=CC=CC=C2C1=O)C(=O)O

Isomeric SMILES

CC(CS)C(=O)N1C(CC2=CC=CC=C2C1=O)C(=O)O

InChI

InChI=1S/C14H15NO4S/c1-8(7-20)12(16)15-11(14(18)19)6-9-4-2-3-5-10(9)13(15)17/h2-5,8,11,20H,6-7H2,1H3,(H,18,19)