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

Systemtic Name: 1-methyl-2-(2-methyl-3-sulfanyl-propanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 1-methyl-2-(2-methyl-3-sulfanyl-propanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-(3-mercapto-2-methyl-1-oxopropyl)-1-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 1-methyl-2-(2-methyl-3-sulfanylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-(3-mercapto-2-methyl-propanoyl)-1-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C15H19NO3S MolecularWeight: 293.38126

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC=CC=C2CC(N1C(=O)C(C)CS)C(=O)O

Isomeric SMILES

CC1C2=CC=CC=C2CC(N1C(=O)C(C)CS)C(=O)O

InChI

InChI=1S/C15H19NO3S/c1-9(8-20)14(17)16-10(2)12-6-4-3-5-11(12)7-13(16)15(18)19/h3-6,9-10,13,20H,7-8H2,1-2H3,(H,18,19)