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

Systemtic Name: methyl 2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-3-(2-furylmethyl)-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[(3,3-dimethyl-2-oxobutyl)thio]-3-(2-furanylmethyl)-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-3-(furan-2-ylmethyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 3-(2-furfuryl)-4-keto-2-[(2-keto-3,3-dimethyl-butyl)thio]quinazoline-7-carboxylic acid methyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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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=CC=CO3

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CC3=CC=CO3

InChI

InChI=1S/C21H22N2O5S/c1-21(2,3)17(24)12-29-20-22-16-10-13(19(26)27-4)7-8-15(16)18(25)23(20)11-14-6-5-9-28-14/h5-10H,11-12H2,1-4H3