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

Systemtic Name: ethyl 2-[7-[(3,5-dimethylphenyl)carbamoyl]-4-oxidanylidene-3-phenyl-quinazolin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[7-[(3,5-dimethylphenyl)carbamoyl]-4-oxo-3-phenyl-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[7-[(3,5-dimethylanilino)-oxomethyl]-4-oxo-3-phenyl-2-quinazolinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[7-[(3,5-dimethylphenyl)carbamoyl]-4-oxo-3-phenylquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[7-[(3,5-dimethylphenyl)carbamoyl]-4-keto-3-phenyl-quinazolin-2-yl]thio]acetic acid ethyl ester Formula: C27H25N3O4S MolecularWeight: 487.5701

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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)N1C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)NC3=CC(=CC(=C3)C)C)C(=O)N1C4=CC=CC=C4

InChI

InChI=1S/C27H25N3O4S/c1-4-34-24(31)16-35-27-29-23-15-19(25(32)28-20-13-17(2)12-18(3)14-20)10-11-22(23)26(33)30(27)21-8-6-5-7-9-21/h5-15H,4,16H2,1-3H3,(H,28,32)