butyl 2-[3-[2-(cyclohexen-1-yl)ethyl]-6,7-dimethoxy-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate

Systemtic Name: butyl 2-[3-[2-(cyclohexen-1-yl)ethyl]-6,7-dimethoxy-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: butyl 2-[3-[2-(cyclohexen-1-yl)ethyl]-6,7-dimethoxy-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[3-[2-(1-cyclohexenyl)ethyl]-6,7-dimethoxy-4-oxo-2-quinazolinyl]thio]acetic acid butyl ester IUPAC Name: butyl 2-[3-[2-(cyclohexen-1-yl)ethyl]-6,7-dimethoxy-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[3-[2-(cyclohexen-1-yl)ethyl]-4-keto-6,7-dimethoxy-quinazolin-2-yl]thio]acetic acid butyl ester Formula: C24H32N2O5S MolecularWeight: 460.58628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=NC2=CC(=C(C=C2C(=O)N1CCC3=CCCCC3)OC)OC

Isomeric SMILES

CCCCOC(=O)CSC1=NC2=CC(=C(C=C2C(=O)N1CCC3=CCCCC3)OC)OC

InChI

InChI=1S/C24H32N2O5S/c1-4-5-13-31-22(27)16-32-24-25-19-15-21(30-3)20(29-2)14-18(19)23(28)26(24)12-11-17-9-7-6-8-10-17/h9,14-15H,4-8,10-13,16H2,1-3H3