[2-cyano-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-sulfanyl-ethyl]carbamic acid

Systemtic Name: [2-cyano-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-sulfanyl-ethyl]carbamic acid Openeye Name: [2-cyano-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-sulfanyl-ethyl]carbamic acid CAS Name: [2-cyano-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-mercaptoethyl]carbamic acid IUPAC Name: [2-cyano-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-sulfanylethyl]carbamic acid Traditional Name: [2-cyano-2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-2-mercapto-ethyl]carbamic acid Formula: C15H17N3O4S MolecularWeight: 335.37818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O4S/c1-21-11-5-9-3-4-17-13(10(9)6-12(11)22-2)15(23,7-16)8-18-14(19)20/h5-6,18,23H,3-4,8H2,1-2H3,(H,19,20)