2-[2-(2-methoxyethylsulfanyl)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-[2-(2-methoxyethylsulfanyl)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-[2-(2-methoxyethylsulfanyl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[2-(2-methoxyethylthio)-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-[2-(2-methoxyethylsulfanyl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-[2-(2-methoxyethylthio)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C15H19NO4S MolecularWeight: 309.38066

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Descriptors Computed from Structure

Canonical SMILES:

COCCSCC(=O)N1CC2=CC=CC=C2CC1C(=O)O

Isomeric SMILES

COCCSCC(=O)N1CC2=CC=CC=C2CC1C(=O)O

InChI

InChI=1S/C15H19NO4S/c1-20-6-7-21-10-14(17)16-9-12-5-3-2-4-11(12)8-13(16)15(18)19/h2-5,13H,6-10H2,1H3,(H,18,19)