methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(1-ethylbenzimidazol-2-yl)sulfanyl-3-oxidanylidene-butanoate

Systemtic Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(1-ethylbenzimidazol-2-yl)sulfanyl-3-oxidanylidene-butanoate Openeye Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(1-ethylbenzimidazol-2-yl)sulfanyl-3-oxo-butanoate CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(1-ethyl-2-benzimidazolyl)thio]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-(1-ethylbenzimidazol-2-yl)sulfanyl-3-oxobutanoate Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(1-ethylbenzimidazol-2-yl)thio]-3-keto-butyric acid methyl ester Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1SCC(=O)C(=C3NC4=CC=CC=C4N3)C(=O)OC

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1SCC(=O)C(=C3NC4=CC=CC=C4N3)C(=O)OC

InChI

InChI=1S/C21H20N4O3S/c1-3-25-16-11-7-6-10-15(16)24-21(25)29-12-17(26)18(20(27)28-2)19-22-13-8-4-5-9-14(13)23-19/h4-11,22-23H,3,12H2,1-2H3