ethyl 2-[7-[(3-chlorophenyl)carbamoyl]-3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[7-[(3-chlorophenyl)carbamoyl]-3-cyclohexyl-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[7-[(3-chlorophenyl)carbamoyl]-3-cyclohexyl-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[7-[(3-chloroanilino)-oxomethyl]-3-cyclohexyl-4-oxo-2-quinazolinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[7-[(3-chlorophenyl)carbamoyl]-3-cyclohexyl-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[7-[(3-chlorophenyl)carbamoyl]-3-cyclohexyl-4-keto-quinazolin-2-yl]thio]acetic acid ethyl ester Formula: C25H26ClN3O4S MolecularWeight: 500.00964

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)NC3=CC(=CC=C3)Cl)C(=O)N1C4CCCCC4

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)NC3=CC(=CC=C3)Cl)C(=O)N1C4CCCCC4

InChI

InChI=1S/C25H26ClN3O4S/c1-2-33-22(30)15-34-25-28-21-13-16(23(31)27-18-8-6-7-17(26)14-18)11-12-20(21)24(32)29(25)19-9-4-3-5-10-19/h6-8,11-14,19H,2-5,9-10,15H2,1H3,(H,27,31)