ethyl 3-[(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)carbonyl]-5-nitro-benzoate Openeye Name: ethyl 3-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-5-nitro-benzoate CAS Name: 3-[(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-carbonyl)-5-nitrobenzoate Traditional Name: 3-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]-5-nitro-benzoic acid ethyl ester Formula: C25H24N2O7S MolecularWeight: 496.53226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCC3=CC(=C(C=C3C2C4=CC=CS4)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N2CCC3=CC(=C(C=C3C2C4=CC=CS4)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C25H24N2O7S/c1-4-34-25(29)17-10-16(11-18(12-17)27(30)31)24(28)26-8-7-15-13-20(32-2)21(33-3)14-19(15)23(26)22-6-5-9-35-22/h5-6,9-14,23H,4,7-8H2,1-3H3