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

Systemtic Name: 2-[2-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-keto-ethyl]thio]acetic acid Formula: C16H21NO5S MolecularWeight: 339.40664

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC(=C(C=C2CCN1C(=O)CSCC(=O)O)OC)OC

Isomeric SMILES

C[C@H]1C2=CC(=C(C=C2CCN1C(=O)CSCC(=O)O)OC)OC

InChI

InChI=1S/C16H21NO5S/c1-10-12-7-14(22-3)13(21-2)6-11(12)4-5-17(10)15(18)8-23-9-16(19)20/h6-7,10H,4-5,8-9H2,1-3H3,(H,19,20)/t10-/m0/s1