2-(2-propan-2-ylsulfanylethanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-(2-propan-2-ylsulfanylethanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-(2-isopropylsulfanylacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[1-oxo-2-(propan-2-ylthio)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(2-propan-2-ylsulfanylacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-[2-(isopropylthio)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C15H19NO3S MolecularWeight: 293.38126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCC(=O)N1CC2=CC=CC=C2CC1C(=O)O

Isomeric SMILES

CC(C)SCC(=O)N1CC2=CC=CC=C2CC1C(=O)O

InChI

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