methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-4-quinolin-2-ylsulfanyl-butanoate

Systemtic Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-4-quinolin-2-ylsulfanyl-butanoate Openeye Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-(2-quinolylsulfanyl)butanoate CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-(2-quinolinylthio)butanoic acid methyl ester IUPAC Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-quinolin-2-ylsulfanylbutanoate Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-4-(2-quinolylthio)butyric acid methyl ester Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C1NC2=CC=CC=C2N1)C(=O)CSC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

COC(=O)C(=C1NC2=CC=CC=C2N1)C(=O)CSC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H17N3O3S/c1-27-21(26)19(20-23-15-8-4-5-9-16(15)24-20)17(25)12-28-18-11-10-13-6-2-3-7-14(13)22-18/h2-11,23-24H,12H2,1H3