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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)CCC(=O)N2CCC3=CC(=C(C=C3C2C4=CC=CS4)OC)OC

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)CCC(=O)N2CCC3=CC(=C(C=C3C2C4=CC=CS4)OC)OC

InChI

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