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

Systemtic Name: ethyl 2-[7-[(3-chlorophenyl)carbamoyl]-4-oxidanylidene-3-phenethyl-quinazolin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[7-[(3-chlorophenyl)carbamoyl]-4-oxo-3-phenethyl-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[7-[(3-chloroanilino)-oxomethyl]-4-oxo-3-phenethyl-2-quinazolinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[7-[(3-chlorophenyl)carbamoyl]-4-oxo-3-phenethylquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[7-[(3-chlorophenyl)carbamoyl]-4-keto-3-phenethyl-quinazolin-2-yl]thio]acetic acid ethyl ester Formula: C27H24ClN3O4S MolecularWeight: 522.01516

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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)N1CCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)NC3=CC(=CC=C3)Cl)C(=O)N1CCC4=CC=CC=C4

InChI

InChI=1S/C27H24ClN3O4S/c1-2-35-24(32)17-36-27-30-23-15-19(25(33)29-21-10-6-9-20(28)16-21)11-12-22(23)26(34)31(27)14-13-18-7-4-3-5-8-18/h3-12,15-16H,2,13-14,17H2,1H3,(H,29,33)