3-chloranyl-N-[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl]-6-fluoranyl-N-methyl-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl]-6-fluoranyl-N-methyl-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[2-(3,4-diethoxyanilino)-2-oxo-ethyl]-6-fluoro-N-methyl-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-6-fluoro-N-methyl-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-6-fluoro-N-methyl-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[2-(3,4-diethoxyanilino)-2-keto-ethyl]-6-fluoro-N-methyl-benzothiophene-2-carboxamide Formula: C22H22ClFN2O4S MolecularWeight: 464.937483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CN(C)C(=O)C2=C(C3=C(S2)C=C(C=C3)F)Cl)OCC

InChI

InChI=1S/C22H22ClFN2O4S/c1-4-29-16-9-7-14(11-17(16)30-5-2)25-19(27)12-26(3)22(28)21-20(23)15-8-6-13(24)10-18(15)31-21/h6-11H,4-5,12H2,1-3H3,(H,25,27)