2-(2-methyl-3-sulfanyl-propanoyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid

Systemtic Name: 2-(2-methyl-3-sulfanyl-propanoyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Openeye Name: 2-(2-methyl-3-sulfanyl-propanoyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid CAS Name: 2-(3-mercapto-2-methyl-1-oxopropyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid IUPAC Name: 2-(2-methyl-3-sulfanylpropanoyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Traditional Name: 2-(3-mercapto-2-methyl-propanoyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Formula: C14H17NO3S MolecularWeight: 279.35468

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)N1CCC2=CC=CC=C2C1C(=O)O

Isomeric SMILES

CC(CS)C(=O)N1CCC2=CC=CC=C2C1C(=O)O

InChI

InChI=1S/C14H17NO3S/c1-9(8-19)13(16)15-7-6-10-4-2-3-5-11(10)12(15)14(17)18/h2-5,9,12,19H,6-8H2,1H3,(H,17,18)