methyl 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-phenyl-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-phenyl-quinazoline-7-carboxylate Openeye Name: methyl 2-(2-tert-butoxy-2-oxo-ethyl)sulfanyl-4-oxo-3-phenyl-quinazoline-7-carboxylate CAS Name: 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]thio]-4-oxo-3-phenyl-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfanyl-4-oxo-3-phenylquinazoline-7-carboxylate Traditional Name: 2-[(2-tert-butoxy-2-keto-ethyl)thio]-4-keto-3-phenyl-quinazoline-7-carboxylic acid methyl ester Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O5S/c1-22(2,3)29-18(25)13-30-21-23-17-12-14(20(27)28-4)10-11-16(17)19(26)24(21)15-8-6-5-7-9-15/h5-12H,13H2,1-4H3