[4-(4-cyanophenyl)phenyl] 3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-carboxylate

Systemtic Name: [4-(4-cyanophenyl)phenyl] 3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-carboxylate Openeye Name: [4-(4-cyanophenyl)phenyl] 3-(benzylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(phenylmethylthio)methyl]-2-benzofurancarboxylic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 3-(benzylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(benzylthio)methyl]coumarilic acid [4-(4-cyanophenyl)phenyl] ester Formula: C30H21NO3S MolecularWeight: 475.55764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC2=C(OC3=CC=CC=C32)C(=O)OC4=CC=C(C=C4)C5=CC=C(C=C5)C#N

Isomeric SMILES

C1=CC=C(C=C1)CSCC2=C(OC3=CC=CC=C32)C(=O)OC4=CC=C(C=C4)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C30H21NO3S/c31-18-21-10-12-23(13-11-21)24-14-16-25(17-15-24)33-30(32)29-27(26-8-4-5-9-28(26)34-29)20-35-19-22-6-2-1-3-7-22/h1-17H,19-20H2