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

Systemtic Name: methyl 4-oxidanylidene-2-(2-oxidanylidenepropylsulfanyl)-3-phenethyl-quinazoline-7-carboxylate Openeye Name: methyl 2-acetonylsulfanyl-4-oxo-3-phenethyl-quinazoline-7-carboxylate CAS Name: 4-oxo-2-(2-oxopropylthio)-3-phenethyl-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-(2-oxopropylsulfanyl)-3-phenethylquinazoline-7-carboxylate Traditional Name: 2-(acetonylthio)-4-keto-3-phenethyl-quinazoline-7-carboxylic acid methyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CCC3=CC=CC=C3

Isomeric SMILES

CC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CCC3=CC=CC=C3

InChI

InChI=1S/C21H20N2O4S/c1-14(24)13-28-21-22-18-12-16(20(26)27-2)8-9-17(18)19(25)23(21)11-10-15-6-4-3-5-7-15/h3-9,12H,10-11,13H2,1-2H3