methyl 2-[(4-methoxyphenyl)methylsulfanyl]-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(4-methoxyphenyl)methylsulfanyl]-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxylate Openeye Name: methyl 2-[(4-methoxyphenyl)methylsulfanyl]-4-oxo-3-phenethyl-quinazoline-7-carboxylate CAS Name: 2-[(4-methoxyphenyl)methylthio]-4-oxo-3-phenethyl-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-methoxyphenyl)methylsulfanyl]-4-oxo-3-phenethylquinazoline-7-carboxylate Traditional Name: 4-keto-2-(p-anisylthio)-3-phenethyl-quinazoline-7-carboxylic acid methyl ester Formula: C26H24N2O4S MolecularWeight: 460.54476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CCC4=CC=CC=C4

InChI

InChI=1S/C26H24N2O4S/c1-31-21-11-8-19(9-12-21)17-33-26-27-23-16-20(25(30)32-2)10-13-22(23)24(29)28(26)15-14-18-6-4-3-5-7-18/h3-13,16H,14-15,17H2,1-2H3