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

Systemtic Name: ethyl 2-[7-[(3-chlorophenyl)methylcarbamoyl]-4-oxidanylidene-3-phenethyl-quinazolin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[7-[(3-chlorophenyl)methylcarbamoyl]-4-oxo-3-phenethyl-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[7-[[(3-chlorophenyl)methylamino]-oxomethyl]-4-oxo-3-phenethyl-2-quinazolinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[7-[(3-chlorophenyl)methylcarbamoyl]-4-oxo-3-phenethylquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[7-[(3-chlorobenzyl)carbamoyl]-4-keto-3-phenethyl-quinazolin-2-yl]thio]acetic acid ethyl ester Formula: C28H26ClN3O4S MolecularWeight: 536.04174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)NCC3=CC(=CC=C3)Cl)C(=O)N1CCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)NCC3=CC(=CC=C3)Cl)C(=O)N1CCC4=CC=CC=C4

InChI

InChI=1S/C28H26ClN3O4S/c1-2-36-25(33)18-37-28-31-24-16-21(26(34)30-17-20-9-6-10-22(29)15-20)11-12-23(24)27(35)32(28)14-13-19-7-4-3-5-8-19/h3-12,15-16H,2,13-14,17-18H2,1H3,(H,30,34)