2-[2-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanylethanoic acid

Systemtic Name: 2-[2-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]acetic acid Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)CSCC(=O)O)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)CSCC(=O)O)C3=CC=CC=C3)OC

InChI

InChI=1S/C21H23NO5S/c1-26-17-10-15-8-9-22(19(23)12-28-13-20(24)25)21(14-6-4-3-5-7-14)16(15)11-18(17)27-2/h3-7,10-11,21H,8-9,12-13H2,1-2H3,(H,24,25)