dimethyl 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C18H19NO6S2 MolecularWeight: 409.47656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)S(=O)(=O)N2CCC3=CC=CC=C3C2)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)S(=O)(=O)N2CCC3=CC=CC=C3C2)C(=O)OC

InChI

InChI=1S/C18H19NO6S2/c1-11-14(16(20)24-2)18(26-15(11)17(21)25-3)27(22,23)19-9-8-12-6-4-5-7-13(12)10-19/h4-7H,8-10H2,1-3H3