4-[(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-[(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-7,8-dimethyl-coumarin Formula: C27H27NO4S MolecularWeight: 461.57258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN3CCC4=CC(=C(C=C4C3C5=CC=CS5)OC)OC)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN3CCC4=CC(=C(C=C4C3C5=CC=CS5)OC)OC)C

InChI

InChI=1S/C27H27NO4S/c1-16-7-8-20-19(13-25(29)32-27(20)17(16)2)15-28-10-9-18-12-22(30-3)23(31-4)14-21(18)26(28)24-6-5-11-33-24/h5-8,11-14,26H,9-10,15H2,1-4H3