methyl 3-[2-(cyclohexen-1-yl)ethyl]-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 3-[2-(cyclohexen-1-yl)ethyl]-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-[2-(cyclohexen-1-yl)ethyl]-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-4-oxo-quinazoline-7-carboxylate CAS Name: 3-[2-(1-cyclohexenyl)ethyl]-2-[(3,3-dimethyl-2-oxobutyl)thio]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-[2-(cyclohexen-1-yl)ethyl]-2-(3,3-dimethyl-2-oxobutyl)sulfanyl-4-oxoquinazoline-7-carboxylate Traditional Name: 3-[2-(cyclohexen-1-yl)ethyl]-4-keto-2-[(2-keto-3,3-dimethyl-butyl)thio]quinazoline-7-carboxylic acid methyl ester Formula: C24H30N2O4S MolecularWeight: 442.571

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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)N1CCC3=CCCCC3

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CCC3=CCCCC3

InChI

InChI=1S/C24H30N2O4S/c1-24(2,3)20(27)15-31-23-25-19-14-17(22(29)30-4)10-11-18(19)21(28)26(23)13-12-16-8-6-5-7-9-16/h8,10-11,14H,5-7,9,12-13,15H2,1-4H3