methyl 4-oxidanylidene-3-phenethyl-2-(phenylmethylsulfanyl)quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-3-phenethyl-2-(phenylmethylsulfanyl)quinazoline-7-carboxylate Openeye Name: methyl 2-benzylsulfanyl-4-oxo-3-phenethyl-quinazoline-7-carboxylate CAS Name: 4-oxo-3-phenethyl-2-(phenylmethylthio)-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-benzylsulfanyl-4-oxo-3-phenethylquinazoline-7-carboxylate Traditional Name: 2-(benzylthio)-4-keto-3-phenethyl-quinazoline-7-carboxylic acid methyl ester Formula: C25H22N2O3S MolecularWeight: 430.51878

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=CC=C3)CCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=CC=C3)CCC4=CC=CC=C4

InChI

InChI=1S/C25H22N2O3S/c1-30-24(29)20-12-13-21-22(16-20)26-25(31-17-19-10-6-3-7-11-19)27(23(21)28)15-14-18-8-4-2-5-9-18/h2-13,16H,14-15,17H2,1H3