methyl 2-[(2-acetamido-1,3-thiazol-4-yl)methylsulfanyl]-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(2-acetamido-1,3-thiazol-4-yl)methylsulfanyl]-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxylate Openeye Name: methyl 2-[(2-acetamidothiazol-4-yl)methylsulfanyl]-4-oxo-3-phenethyl-quinazoline-7-carboxylate CAS Name: 2-[(2-acetamido-4-thiazolyl)methylthio]-4-oxo-3-phenethyl-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-acetamido-1,3-thiazol-4-yl)methylsulfanyl]-4-oxo-3-phenethylquinazoline-7-carboxylate Traditional Name: 2-[(2-acetamidothiazol-4-yl)methylthio]-4-keto-3-phenethyl-quinazoline-7-carboxylic acid methyl ester Formula: C24H22N4O4S2 MolecularWeight: 494.58588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=CS1)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CCC4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=NC(=CS1)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CCC4=CC=CC=C4

InChI

InChI=1S/C24H22N4O4S2/c1-15(29)25-23-26-18(13-33-23)14-34-24-27-20-12-17(22(31)32-2)8-9-19(20)21(30)28(24)11-10-16-6-4-3-5-7-16/h3-9,12-13H,10-11,14H2,1-2H3,(H,25,26,29)