2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]propanoic acid IUPAC Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]propionic acid Formula: C14H17NO3S MolecularWeight: 279.35468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC(=O)N1CCC2=CC=CC=C2C1

Isomeric SMILES

CC(C(=O)O)SCC(=O)N1CCC2=CC=CC=C2C1

InChI

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