ethyl 4-[3-[2-(cyclohexen-1-yl)ethyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[3-[2-(cyclohexen-1-yl)ethyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[3-[2-(cyclohexen-1-yl)ethyl]-4-oxo-quinazolin-2-yl]sulfanyl-3-oxo-butanoate CAS Name: 4-[[3-[2-(1-cyclohexenyl)ethyl]-4-oxo-2-quinazolinyl]thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[3-[2-(cyclohexen-1-yl)ethyl]-4-oxoquinazolin-2-yl]sulfanyl-3-oxobutanoate Traditional Name: 4-[[3-[2-(cyclohexen-1-yl)ethyl]-4-keto-quinazolin-2-yl]thio]-3-keto-butyric acid ethyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC3=CCCCC3

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC3=CCCCC3

InChI

InChI=1S/C22H26N2O4S/c1-2-28-20(26)14-17(25)15-29-22-23-19-11-7-6-10-18(19)21(27)24(22)13-12-16-8-4-3-5-9-16/h6-8,10-11H,2-5,9,12-15H2,1H3