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

Systemtic Name: ethyl 2-[7-[(3-chlorophenyl)methylcarbamoyl]-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[3-benzyl-7-[(3-chlorophenyl)methylcarbamoyl]-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[7-[[(3-chlorophenyl)methylamino]-oxomethyl]-4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-benzyl-7-[(3-chlorophenyl)methylcarbamoyl]-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[3-benzyl-7-[(3-chlorobenzyl)carbamoyl]-4-keto-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)NCC3=CC(=CC=C3)Cl)C(=O)N1CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)NCC3=CC(=CC=C3)Cl)C(=O)N1CC4=CC=CC=C4

InChI

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