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

Systemtic Name: ethyl 2-[4-oxidanylidene-3-phenethyl-7-[(phenylmethyl)carbamoyl]quinazolin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[7-(benzylcarbamoyl)-4-oxo-3-phenethyl-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[4-oxo-7-[oxo-[(phenylmethyl)amino]methyl]-3-phenethyl-2-quinazolinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[7-(benzylcarbamoyl)-4-oxo-3-phenethylquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[7-(benzylcarbamoyl)-4-keto-3-phenethyl-quinazolin-2-yl]thio]acetic acid ethyl ester Formula: C28H27N3O4S MolecularWeight: 501.59668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H27N3O4S/c1-2-35-25(32)19-36-28-30-24-17-22(26(33)29-18-21-11-7-4-8-12-21)13-14-23(24)27(34)31(28)16-15-20-9-5-3-6-10-20/h3-14,17H,2,15-16,18-19H2,1H3,(H,29,33)