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

Systemtic Name: methyl 4-oxidanylidene-2-(3-oxidanylidenebutylsulfanyl)-3-phenethyl-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-2-(3-oxobutylsulfanyl)-3-phenethyl-quinazoline-7-carboxylate CAS Name: 4-oxo-2-(3-oxobutylthio)-3-phenethyl-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-(3-oxobutylsulfanyl)-3-phenethylquinazoline-7-carboxylate Traditional Name: 4-keto-2-(3-ketobutylthio)-3-phenethyl-quinazoline-7-carboxylic acid methyl ester Formula: C22H22N2O4S MolecularWeight: 410.48608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CCC3=CC=CC=C3

Isomeric SMILES

CC(=O)CCSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CCC3=CC=CC=C3

InChI

InChI=1S/C22H22N2O4S/c1-15(25)11-13-29-22-23-19-14-17(21(27)28-2)8-9-18(19)20(26)24(22)12-10-16-6-4-3-5-7-16/h3-9,14H,10-13H2,1-2H3