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

Systemtic Name: ethyl 2-[7-[(3,5-dimethylphenyl)carbamoyl]-4-oxidanylidene-3-phenethyl-quinazolin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[7-[(3,5-dimethylphenyl)carbamoyl]-4-oxo-3-phenethyl-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[7-[(3,5-dimethylanilino)-oxomethyl]-4-oxo-3-phenethyl-2-quinazolinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[7-[(3,5-dimethylphenyl)carbamoyl]-4-oxo-3-phenethylquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[7-[(3,5-dimethylphenyl)carbamoyl]-4-keto-3-phenethyl-quinazolin-2-yl]thio]acetic acid ethyl ester Formula: C29H29N3O4S MolecularWeight: 515.62326

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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)N1CCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)NC3=CC(=CC(=C3)C)C)C(=O)N1CCC4=CC=CC=C4

InChI

InChI=1S/C29H29N3O4S/c1-4-36-26(33)18-37-29-31-25-17-22(27(34)30-23-15-19(2)14-20(3)16-23)10-11-24(25)28(35)32(29)13-12-21-8-6-5-7-9-21/h5-11,14-17H,4,12-13,18H2,1-3H3,(H,30,34)