methyl 4-[5-(3-methoxyphenyl)-3-(pyridin-4-ylsulfanylmethyl)furan-2-yl]benzoate

Systemtic Name: methyl 4-[5-(3-methoxyphenyl)-3-(pyridin-4-ylsulfanylmethyl)furan-2-yl]benzoate Openeye Name: methyl 4-[5-(3-methoxyphenyl)-3-(4-pyridylsulfanylmethyl)-2-furyl]benzoate CAS Name: 4-[5-(3-methoxyphenyl)-3-[(pyridin-4-ylthio)methyl]-2-furanyl]benzoic acid methyl ester IUPAC Name: methyl 4-[5-(3-methoxyphenyl)-3-(pyridin-4-ylsulfanylmethyl)furan-2-yl]benzoate Traditional Name: 4-[5-(3-methoxyphenyl)-3-[(4-pyridylthio)methyl]-2-furyl]benzoic acid methyl ester Formula: C25H21NO4S MolecularWeight: 431.50354

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC(=C(O2)C3=CC=C(C=C3)C(=O)OC)CSC4=CC=NC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC(=C(O2)C3=CC=C(C=C3)C(=O)OC)CSC4=CC=NC=C4

InChI

InChI=1S/C25H21NO4S/c1-28-21-5-3-4-19(14-21)23-15-20(16-31-22-10-12-26-13-11-22)24(30-23)17-6-8-18(9-7-17)25(27)29-2/h3-15H,16H2,1-2H3