methyl 2-[(1R)-6,7-dimethoxy-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate

Systemtic Name: methyl 2-[(1R)-6,7-dimethoxy-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: methyl 2-[(1R)-6,7-dimethoxy-2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-[(1R)-6,7-dimethoxy-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(1R)-6,7-dimethoxy-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[(1R)-6,7-dimethoxy-2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid methyl ester Formula: C18H21NO6S2 MolecularWeight: 411.49244

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)S(=O)(=O)C3=CC=CS3)CC(=O)OC)OC

Isomeric SMILES

COC1=C(C=C2[C@H](N(CCC2=C1)S(=O)(=O)C3=CC=CS3)CC(=O)OC)OC

InChI

InChI=1S/C18H21NO6S2/c1-23-15-9-12-6-7-19(27(21,22)18-5-4-8-26-18)14(11-17(20)25-3)13(12)10-16(15)24-2/h4-5,8-10,14H,6-7,11H2,1-3H3/t14-/m1/s1