methyl 2-[2-(5-chloranylthiophen-2-yl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate

Systemtic Name: methyl 2-[2-(5-chloranylthiophen-2-yl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]ethanoate Openeye Name: methyl 2-[2-[(5-chloro-2-thienyl)sulfonyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetate CAS Name: 2-[2-[(5-chloro-2-thiophenyl)sulfonyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(5-chlorothiophen-2-yl)sulfonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetate Traditional Name: 2-[2-[(5-chloro-2-thienyl)sulfonyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid methyl ester Formula: C18H20ClNO6S2 MolecularWeight: 445.9375

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)S(=O)(=O)C3=CC=C(S3)Cl)CC(=O)OC)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)S(=O)(=O)C3=CC=C(S3)Cl)CC(=O)OC)OC

InChI

InChI=1S/C18H20ClNO6S2/c1-24-14-8-11-6-7-20(28(22,23)18-5-4-16(19)27-18)13(10-17(21)26-3)12(11)9-15(14)25-2/h4-5,8-9,13H,6-7,10H2,1-3H3