methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-3-oxidanylidene-butanoate

Systemtic Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-3-oxidanylidene-butanoate Openeye Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-3-oxo-butanoate CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(6-methyl-1H-benzimidazol-2-yl)thio]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-3-oxobutanoate Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-4-[(6-methyl-1H-benzimidazol-2-yl)thio]butyric acid methyl ester Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)SCC(=O)C(=C3NC4=CC=CC=C4N3)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)SCC(=O)C(=C3NC4=CC=CC=C4N3)C(=O)OC

InChI

InChI=1S/C20H18N4O3S/c1-11-7-8-14-15(9-11)24-20(23-14)28-10-16(25)17(19(26)27-2)18-21-12-5-3-4-6-13(12)22-18/h3-9,21-22H,10H2,1-2H3,(H,23,24)