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

Systemtic Name: ethyl 2-[7-[(3,4-dimethoxyphenyl)carbamoyl]-4-oxidanylidene-3-phenyl-quinazolin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[7-[(3,4-dimethoxyphenyl)carbamoyl]-4-oxo-3-phenyl-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[7-[(3,4-dimethoxyanilino)-oxomethyl]-4-oxo-3-phenyl-2-quinazolinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[7-[(3,4-dimethoxyphenyl)carbamoyl]-4-oxo-3-phenylquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[7-[(3,4-dimethoxyphenyl)carbamoyl]-4-keto-3-phenyl-quinazolin-2-yl]thio]acetic acid ethyl ester Formula: C27H25N3O6S MolecularWeight: 519.5689

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25N3O6S/c1-4-36-24(31)16-37-27-29-21-14-17(25(32)28-18-11-13-22(34-2)23(15-18)35-3)10-12-20(21)26(33)30(27)19-8-6-5-7-9-19/h5-15H,4,16H2,1-3H3,(H,28,32)