ethyl 4-cyano-3-methyl-5-[[3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-yl]carbonylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-3-methyl-5-[[3-[(phenylmethylsulfanyl)methyl]-1-benzofuran-2-yl]carbonylamino]thiophene-2-carboxylate Openeye Name: ethyl 5-[[3-(benzylsulfanylmethyl)benzofuran-2-carbonyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[oxo-[3-[(phenylmethylthio)methyl]-2-benzofuranyl]methyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[3-(benzylsulfanylmethyl)-1-benzofuran-2-carbonyl]amino]-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-[[3-[(benzylthio)methyl]benzofuran-2-carbonyl]amino]-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C26H22N2O4S2 MolecularWeight: 490.59388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=C(C3=CC=CC=C3O2)CSCC4=CC=CC=C4)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=C(C3=CC=CC=C3O2)CSCC4=CC=CC=C4)C#N)C

InChI

InChI=1S/C26H22N2O4S2/c1-3-31-26(30)23-16(2)19(13-27)25(34-23)28-24(29)22-20(18-11-7-8-12-21(18)32-22)15-33-14-17-9-5-4-6-10-17/h4-12H,3,14-15H2,1-2H3,(H,28,29)