ethyl 2-[7-[(3,5-dimethylphenyl)carbamoyl]-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[7-[(3,5-dimethylphenyl)carbamoyl]-4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[3-benzyl-7-[(3,5-dimethylphenyl)carbamoyl]-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[7-[(3,5-dimethylanilino)-oxomethyl]-4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-benzyl-7-[(3,5-dimethylphenyl)carbamoyl]-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[3-benzyl-7-[(3,5-dimethylphenyl)carbamoyl]-4-keto-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)NC3=CC(=CC(=C3)C)C)C(=O)N1CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)NC3=CC(=CC(=C3)C)C)C(=O)N1CC4=CC=CC=C4

InChI

InChI=1S/C28H27N3O4S/c1-4-35-25(32)17-36-28-30-24-15-21(26(33)29-22-13-18(2)12-19(3)14-22)10-11-23(24)27(34)31(28)16-20-8-6-5-7-9-20/h5-15H,4,16-17H2,1-3H3,(H,29,33)