methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-3-oxidanylidene-butanoate

Systemtic Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-3-oxidanylidene-butanoate Openeye Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-3-oxo-butanoate CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-3-oxobutanoic acid methyl ester IUPAC Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-3-oxobutanoate Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-3-keto-butyric acid methyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C1NC2=CC=CC=C2N1)C(=O)CSC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

COC(=O)C(=C1NC2=CC=CC=C2N1)C(=O)CSC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H20N2O5S/c1-26-21(25)19(20-22-14-5-2-3-6-15(14)23-20)16(24)12-29-13-7-8-17-18(11-13)28-10-4-9-27-17/h2-3,5-8,11,22-23H,4,9-10,12H2,1H3