methyl 2-[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl]sulfanyl-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl]sulfanyl-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxylate Openeye Name: methyl 2-[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxo-propyl]sulfanyl-4-oxo-3-phenethyl-quinazoline-7-carboxylate CAS Name: 2-[[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl]thio]-4-oxo-3-phenethyl-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl]sulfanyl-4-oxo-3-phenethylquinazoline-7-carboxylate Traditional Name: 2-[[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-propyl]thio]-4-keto-3-phenethyl-quinazoline-7-carboxylic acid methyl ester Formula: C29H23N5O4S MolecularWeight: 537.58902

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)C(=C3NC4=CC=CC=C4N3)C#N)CCC5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)C(=C3NC4=CC=CC=C4N3)C#N)CCC5=CC=CC=C5

InChI

InChI=1S/C29H23N5O4S/c1-38-28(37)19-11-12-20-24(15-19)33-29(34(27(20)36)14-13-18-7-3-2-4-8-18)39-17-25(35)21(16-30)26-31-22-9-5-6-10-23(22)32-26/h2-12,15,31-32H,13-14,17H2,1H3