1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-4-(3,4-dimethylphenyl)butane-1,4-dione

Systemtic Name: 1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-4-(3,4-dimethylphenyl)butane-1,4-dione Openeye Name: 1-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-4-(3,4-dimethylphenyl)butane-1,4-dione CAS Name: 1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-4-(3,4-dimethylphenyl)butane-1,4-dione IUPAC Name: 1-(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)-4-(3,4-dimethylphenyl)butane-1,4-dione Traditional Name: 1-[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]-4-(3,4-dimethylphenyl)butane-1,4-dione Formula: C27H29NO4S MolecularWeight: 463.58846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CCC(=O)N2CCC3=CC(=C(C=C3C2C4=CC=CS4)OC)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CCC(=O)N2CCC3=CC(=C(C=C3C2C4=CC=CS4)OC)OC)C

InChI

InChI=1S/C27H29NO4S/c1-17-7-8-20(14-18(17)2)22(29)9-10-26(30)28-12-11-19-15-23(31-3)24(32-4)16-21(19)27(28)25-6-5-13-33-25/h5-8,13-16,27H,9-12H2,1-4H3