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

Systemtic Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-4-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]butanoate Openeye Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]butanoate CAS Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]butanoic acid methyl ester IUPAC Name: methyl 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-4-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]butanoate Traditional Name: 2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-4-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]butyric acid methyl ester Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC(=O)C(=C2NC3=CC=CC=C3N2)C(=O)OC

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(=O)C(=C2NC3=CC=CC=C3N2)C(=O)OC

InChI

InChI=1S/C19H20N4O4S/c1-3-6-11-9-15(25)23-19(20-11)28-10-14(24)16(18(26)27-2)17-21-12-7-4-5-8-13(12)22-17/h4-5,7-9,21-22H,3,6,10H2,1-2H3,(H,20,23,25)