3-cyano-3-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-3-sulfanyl-propanoic acid

Systemtic Name: 3-cyano-3-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-3-sulfanyl-propanoic acid Openeye Name: 3-cyano-3-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-3-sulfanyl-propanoic acid CAS Name: 3-cyano-3-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-3-mercaptopropanoic acid IUPAC Name: 3-cyano-3-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-3-sulfanylpropanoic acid Traditional Name: 3-cyano-3-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-3-mercapto-propionic acid Formula: C15H16N2O4S MolecularWeight: 320.36354

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CCN=C2C(CC(=O)O)(C#N)S)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CCN=C2C(CC(=O)O)(C#N)S)OC

InChI

InChI=1S/C15H16N2O4S/c1-20-11-5-9-3-4-17-14(10(9)6-12(11)21-2)15(22,8-16)7-13(18)19/h5-6,22H,3-4,7H2,1-2H3,(H,18,19)