3-chloranyl-N-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-fluoranyl-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-fluoranyl-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-fluoro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-fluoro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-fluoro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-6-fluoro-N-homoveratryl-N-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]benzothiophene-2-carboxamide Formula: C31H28ClFN2O6S MolecularWeight: 611.080223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN(CC2=CC3=CC(=C(C=C3NC2=O)OC)OC)C(=O)C4=C(C5=C(S4)C=C(C=C5)F)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN(CC2=CC3=CC(=C(C=C3NC2=O)OC)OC)C(=O)C4=C(C5=C(S4)C=C(C=C5)F)Cl)OC

InChI

InChI=1S/C31H28ClFN2O6S/c1-38-23-8-5-17(11-24(23)39-2)9-10-35(31(37)29-28(32)21-7-6-20(33)14-27(21)42-29)16-19-12-18-13-25(40-3)26(41-4)15-22(18)34-30(19)36/h5-8,11-15H,9-10,16H2,1-4H3,(H,34,36)