methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-4-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]butanoate

Systemtic Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-4-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]butanoate Openeye Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]butanoate CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-[(5-phenyl-1H-imidazol-2-yl)thio]butanoic acid methyl ester IUPAC Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]butanoate Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-4-[(5-phenyl-1H-imidazol-2-yl)thio]butyric acid methyl ester Formula: C21H18N4O3S MolecularWeight: 406.45762

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C1NC2=CC=CC=C2N1)C(=O)CSC3=NC=C(N3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C(=C1NC2=CC=CC=C2N1)C(=O)CSC3=NC=C(N3)C4=CC=CC=C4

InChI

InChI=1S/C21H18N4O3S/c1-28-20(27)18(19-23-14-9-5-6-10-15(14)24-19)17(26)12-29-21-22-11-16(25-21)13-7-3-2-4-8-13/h2-11,23-24H,12H2,1H3,(H,22,25)