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

Systemtic Name: 2-(3-ethanoylsulfanylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-(3-acetylsulfanylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[3-(acetylthio)-1-oxopropyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(3-acetylsulfanylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-[3-(acetylthio)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C15H17NO4S MolecularWeight: 307.36478

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(=O)N1CC2=CC=CC=C2CC1C(=O)O

Isomeric SMILES

CC(=O)SCCC(=O)N1CC2=CC=CC=C2CC1C(=O)O

InChI

InChI=1S/C15H17NO4S/c1-10(17)21-7-6-14(18)16-9-12-5-3-2-4-11(12)8-13(16)15(19)20/h2-5,13H,6-9H2,1H3,(H,19,20)