ethyl 2,4-dimethyl-5-[2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanylpropanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanylpropanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C23H27N3O5S MolecularWeight: 457.54258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CCCO)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CCCO)C

InChI

InChI=1S/C23H27N3O5S/c1-5-31-22(30)18-13(2)19(24-14(18)3)20(28)15(4)32-23-25-17-10-7-6-9-16(17)21(29)26(23)11-8-12-27/h6-7,9-10,15,24,27H,5,8,11-12H2,1-4H3