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

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

C1CN(CC2=CC=CC=C21)C(=O)CSCCC(=O)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CSCCC(=O)O

InChI

InChI=1S/C14H17NO3S/c16-13(10-19-8-6-14(17)18)15-7-5-11-3-1-2-4-12(11)9-15/h1-4H,5-10H2,(H,17,18)