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

Systemtic Name: 2-(3-methylsulfanylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-(3-methylsulfanylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[3-(methylthio)-1-oxopropyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(3-methylsulfanylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-[3-(methylthio)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C14H17NO3S MolecularWeight: 279.35468

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(=O)N1CC2=CC=CC=C2CC1C(=O)O

Isomeric SMILES

CSCCC(=O)N1CC2=CC=CC=C2CC1C(=O)O

InChI

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