ethyl 2-[7-[2-(cyclohexen-1-yl)ethylcarbamoyl]-4-oxidanylidene-3-phenethyl-quinazolin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[7-[2-(cyclohexen-1-yl)ethylcarbamoyl]-4-oxidanylidene-3-phenethyl-quinazolin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[7-[2-(cyclohexen-1-yl)ethylcarbamoyl]-4-oxo-3-phenethyl-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[7-[[2-(1-cyclohexenyl)ethylamino]-oxomethyl]-4-oxo-3-phenethyl-2-quinazolinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[7-[2-(cyclohexen-1-yl)ethylcarbamoyl]-4-oxo-3-phenethylquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[7-[2-(cyclohexen-1-yl)ethylcarbamoyl]-4-keto-3-phenethyl-quinazolin-2-yl]thio]acetic acid ethyl ester Formula: C29H33N3O4S MolecularWeight: 519.65502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)NCCC3=CCCCC3)C(=O)N1CCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)NCCC3=CCCCC3)C(=O)N1CCC4=CC=CC=C4

InChI

InChI=1S/C29H33N3O4S/c1-2-36-26(33)20-37-29-31-25-19-23(27(34)30-17-15-21-9-5-3-6-10-21)13-14-24(25)28(35)32(29)18-16-22-11-7-4-8-12-22/h4,7-9,11-14,19H,2-3,5-6,10,15-18,20H2,1H3,(H,30,34)