1-(5-chloranylthiophen-2-yl)-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butane-1,4-dione

Systemtic Name: 1-(5-chloranylthiophen-2-yl)-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butane-1,4-dione Openeye Name: 1-(5-chloro-2-thienyl)-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butane-1,4-dione CAS Name: 1-(5-chloro-2-thiophenyl)-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butane-1,4-dione IUPAC Name: 1-(5-chlorothiophen-2-yl)-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butane-1,4-dione Traditional Name: 1-(5-chloro-2-thienyl)-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butane-1,4-dione Formula: C19H20ClNO4S MolecularWeight: 393.8844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CCC(=O)C3=CC=C(S3)Cl)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CCC(=O)C3=CC=C(S3)Cl)OC

InChI

InChI=1S/C19H20ClNO4S/c1-24-15-9-12-7-8-21(11-13(12)10-16(15)25-2)19(23)6-3-14(22)17-4-5-18(20)26-17/h4-5,9-10H,3,6-8,11H2,1-2H3