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

Systemtic Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-4-(1-prop-2-enylbenzimidazol-2-yl)sulfanyl-butanoate Openeye Name: methyl 4-(1-allylbenzimidazol-2-yl)sulfanyl-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-butanoate CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-[(1-prop-2-enyl-2-benzimidazolyl)thio]butanoic acid methyl ester IUPAC Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-(1-prop-2-enylbenzimidazol-2-yl)sulfanylbutanoate Traditional Name: 4-[(1-allylbenzimidazol-2-yl)thio]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-butyric acid methyl ester Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C1NC2=CC=CC=C2N1)C(=O)CSC3=NC4=CC=CC=C4N3CC=C

Isomeric SMILES

COC(=O)C(=C1NC2=CC=CC=C2N1)C(=O)CSC3=NC4=CC=CC=C4N3CC=C

InChI

InChI=1S/C22H20N4O3S/c1-3-12-26-17-11-7-6-10-16(17)25-22(26)30-13-18(27)19(21(28)29-2)20-23-14-8-4-5-9-15(14)24-20/h3-11,23-24H,1,12-13H2,2H3