methyl 4-[[2-(4-cyanophenyl)carbonyl-1-benzothiophen-3-yl]oxymethyl]benzoate

Systemtic Name: methyl 4-[[2-(4-cyanophenyl)carbonyl-1-benzothiophen-3-yl]oxymethyl]benzoate Openeye Name: methyl 4-[[2-(4-cyanobenzoyl)benzothiophen-3-yl]oxymethyl]benzoate CAS Name: 4-[[2-[(4-cyanophenyl)-oxomethyl]-1-benzothiophen-3-yl]oxymethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-cyanobenzoyl)-1-benzothiophen-3-yl]oxymethyl]benzoate Traditional Name: 4-[[2-(4-cyanobenzoyl)benzothiophen-3-yl]oxymethyl]benzoic acid methyl ester Formula: C25H17NO4S MolecularWeight: 427.47178

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)COC2=C(SC3=CC=CC=C32)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)COC2=C(SC3=CC=CC=C32)C(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H17NO4S/c1-29-25(28)19-12-8-17(9-13-19)15-30-23-20-4-2-3-5-21(20)31-24(23)22(27)18-10-6-16(14-26)7-11-18/h2-13H,15H2,1H3