methyl 3-[(2-chlorophenyl)methyl]-4-oxidanylidene-2-(2-oxidanylidene-2-propan-2-yloxy-ethyl)sulfanyl-quinazoline-7-carboxylate

Systemtic Name: methyl 3-[(2-chlorophenyl)methyl]-4-oxidanylidene-2-(2-oxidanylidene-2-propan-2-yloxy-ethyl)sulfanyl-quinazoline-7-carboxylate Openeye Name: methyl 3-[(2-chlorophenyl)methyl]-2-(2-isopropoxy-2-oxo-ethyl)sulfanyl-4-oxo-quinazoline-7-carboxylate CAS Name: 3-[(2-chlorophenyl)methyl]-4-oxo-2-[(2-oxo-2-propan-2-yloxyethyl)thio]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2-chlorophenyl)methyl]-4-oxo-2-(2-oxo-2-propan-2-yloxyethyl)sulfanylquinazoline-7-carboxylate Traditional Name: 3-(2-chlorobenzyl)-2-[(2-isopropoxy-2-keto-ethyl)thio]-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C22H21ClN2O5S MolecularWeight: 460.93054

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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)N1CC3=CC=CC=C3Cl

Isomeric SMILES

CC(C)OC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CC3=CC=CC=C3Cl

InChI

InChI=1S/C22H21ClN2O5S/c1-13(2)30-19(26)12-31-22-24-18-10-14(21(28)29-3)8-9-16(18)20(27)25(22)11-15-6-4-5-7-17(15)23/h4-10,13H,11-12H2,1-3H3