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

Systemtic Name: ethyl 2-[7-[2-(cyclohexen-1-yl)ethylcarbamoyl]-3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[7-[2-(cyclohexen-1-yl)ethylcarbamoyl]-3-cyclohexyl-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[7-[[2-(1-cyclohexenyl)ethylamino]-oxomethyl]-3-cyclohexyl-4-oxo-2-quinazolinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[7-[2-(cyclohexen-1-yl)ethylcarbamoyl]-3-cyclohexyl-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[7-[2-(cyclohexen-1-yl)ethylcarbamoyl]-3-cyclohexyl-4-keto-quinazolin-2-yl]thio]acetic acid ethyl ester Formula: C27H35N3O4S MolecularWeight: 497.6495

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)NCCC3=CCCCC3)C(=O)N1C4CCCCC4

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)NCCC3=CCCCC3)C(=O)N1C4CCCCC4

InChI

InChI=1S/C27H35N3O4S/c1-2-34-24(31)18-35-27-29-23-17-20(25(32)28-16-15-19-9-5-3-6-10-19)13-14-22(23)26(33)30(27)21-11-7-4-8-12-21/h9,13-14,17,21H,2-8,10-12,15-16,18H2,1H3,(H,28,32)