methyl 3-(1,3-benzodioxol-5-ylmethyl)-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 3-(1,3-benzodioxol-5-ylmethyl)-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-(1,3-benzodioxol-5-ylmethyl)-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-4-oxo-quinazoline-7-carboxylate CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[(3,3-dimethyl-2-oxobutyl)thio]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-(1,3-benzodioxol-5-ylmethyl)-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-4-oxoquinazoline-7-carboxylate Traditional Name: 4-keto-2-[(2-keto-3,3-dimethyl-butyl)thio]-3-piperonyl-quinazoline-7-carboxylic acid methyl ester Formula: C24H24N2O6S MolecularWeight: 468.52216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H24N2O6S/c1-24(2,3)20(27)12-33-23-25-17-10-15(22(29)30-4)6-7-16(17)21(28)26(23)11-14-5-8-18-19(9-14)32-13-31-18/h5-10H,11-13H2,1-4H3