methyl 4-oxidanylidene-2-(2-oxidanylidene-2-propan-2-yloxy-ethyl)sulfanyl-3-phenyl-quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-2-(2-oxidanylidene-2-propan-2-yloxy-ethyl)sulfanyl-3-phenyl-quinazoline-7-carboxylate Openeye Name: methyl 2-(2-isopropoxy-2-oxo-ethyl)sulfanyl-4-oxo-3-phenyl-quinazoline-7-carboxylate CAS Name: 4-oxo-2-[(2-oxo-2-propan-2-yloxyethyl)thio]-3-phenyl-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-(2-oxo-2-propan-2-yloxyethyl)sulfanyl-3-phenylquinazoline-7-carboxylate Traditional Name: 2-[(2-isopropoxy-2-keto-ethyl)thio]-4-keto-3-phenyl-quinazoline-7-carboxylic acid methyl ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1C3=CC=CC=C3

Isomeric SMILES

CC(C)OC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1C3=CC=CC=C3

InChI

InChI=1S/C21H20N2O5S/c1-13(2)28-18(24)12-29-21-22-17-11-14(20(26)27-3)9-10-16(17)19(25)23(21)15-7-5-4-6-8-15/h4-11,13H,12H2,1-3H3