3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: 3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 3-(methylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(methylthio)methyl]-2-benzofurancarboxylic acid 3-(2-oxo-3H-benzimidazol-1-yl)propyl ester IUPAC Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(methylthio)methyl]coumarilic acid 3-(2-keto-3H-benzimidazol-1-yl)propyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=C(OC2=CC=CC=C21)C(=O)OCCCN3C4=CC=CC=C4NC3=O

Isomeric SMILES

CSCC1=C(OC2=CC=CC=C21)C(=O)OCCCN3C4=CC=CC=C4NC3=O

InChI

InChI=1S/C21H20N2O4S/c1-28-13-15-14-7-2-5-10-18(14)27-19(15)20(24)26-12-6-11-23-17-9-4-3-8-16(17)22-21(23)25/h2-5,7-10H,6,11-13H2,1H3,(H,22,25)