ethyl 5-[2-[7-chloranyl-3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[2-[7-chloranyl-3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-[7-chloro-3-(2-methoxyethyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[[7-chloro-3-(2-methoxyethyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[[7-chloro-4-keto-3-(2-methoxyethyl)quinazolin-2-yl]thio]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H24ClN3O5S MolecularWeight: 477.96106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCOC)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCOC)C

InChI

InChI=1S/C22H24ClN3O5S/c1-5-31-21(29)18-12(2)19(24-13(18)3)17(27)11-32-22-25-16-10-14(23)6-7-15(16)20(28)26(22)8-9-30-4/h6-7,10,24H,5,8-9,11H2,1-4H3