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

Systemtic Name: 4-[(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-7-methoxy-chromen-2-one Openeye Name: 4-[[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-7-methoxy-chromen-2-one CAS Name: 4-[(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-[(6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-7-methoxychromen-2-one Traditional Name: 4-[[6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-7-methoxy-coumarin Formula: C26H25NO5S MolecularWeight: 463.5454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCC4=CC(=C(C=C4C3C5=CC=CS5)OC)OC

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCC4=CC(=C(C=C4C3C5=CC=CS5)OC)OC

InChI

InChI=1S/C26H25NO5S/c1-29-18-6-7-19-17(12-25(28)32-21(19)13-18)15-27-9-8-16-11-22(30-2)23(31-3)14-20(16)26(27)24-5-4-10-33-24/h4-7,10-14,26H,8-9,15H2,1-3H3