methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-3-oxidanylidene-butanoate

Systemtic Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-3-oxidanylidene-butanoate Openeye Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-3-oxo-butanoate CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-3-oxobutanoic acid methyl ester IUPAC Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-3-oxobutanoate Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-3-keto-butyric acid methyl ester Formula: C20H18N2O5S MolecularWeight: 398.43232

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C1NC2=CC=CC=C2N1)C(=O)CSC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

COC(=O)C(=C1NC2=CC=CC=C2N1)C(=O)CSC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H18N2O5S/c1-25-20(24)18(19-21-13-4-2-3-5-14(13)22-19)15(23)11-28-12-6-7-16-17(10-12)27-9-8-26-16/h2-7,10,21-22H,8-9,11H2,1H3