cyanomethyl 3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-carboxylate

Systemtic Name: cyanomethyl 3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-carboxylate Openeye Name: cyanomethyl 3-(benzylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(phenylmethylthio)methyl]-2-benzofurancarboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl 3-(benzylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(benzylthio)methyl]coumarilic acid cyanomethyl ester Formula: C19H15NO3S MolecularWeight: 337.3923

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC2=C(OC3=CC=CC=C32)C(=O)OCC#N

Isomeric SMILES

C1=CC=C(C=C1)CSCC2=C(OC3=CC=CC=C32)C(=O)OCC#N

InChI

InChI=1S/C19H15NO3S/c20-10-11-22-19(21)18-16(15-8-4-5-9-17(15)23-18)13-24-12-14-6-2-1-3-7-14/h1-9H,11-13H2