methyl 4-(7-chloranyl-3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butanoate

Systemtic Name: methyl 4-(7-chloranyl-3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butanoate Openeye Name: methyl 4-(7-chloro-3-cyclopentyl-4-oxo-quinazolin-2-yl)sulfanyl-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-butanoate CAS Name: 4-[(7-chloro-3-cyclopentyl-4-oxo-2-quinazolinyl)thio]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutanoic acid methyl ester IUPAC Name: methyl 4-(7-chloro-3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutanoate Traditional Name: 4-[(7-chloro-3-cyclopentyl-4-keto-quinazolin-2-yl)thio]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-butyric acid methyl ester Formula: C25H23ClN4O4S MolecularWeight: 510.99252

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C1NC2=CC=CC=C2N1)C(=O)CSC3=NC4=C(C=CC(=C4)Cl)C(=O)N3C5CCCC5

Isomeric SMILES

COC(=O)C(=C1NC2=CC=CC=C2N1)C(=O)CSC3=NC4=C(C=CC(=C4)Cl)C(=O)N3C5CCCC5

InChI

InChI=1S/C25H23ClN4O4S/c1-34-24(33)21(22-27-17-8-4-5-9-18(17)28-22)20(31)13-35-25-29-19-12-14(26)10-11-16(19)23(32)30(25)15-6-2-3-7-15/h4-5,8-12,15,27-28H,2-3,6-7,13H2,1H3