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

Systemtic Name: methyl 2,4-dimethyl-5-[2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanylpropanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C22H25N3O5S MolecularWeight: 443.516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CCCO

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CCCO

InChI

InChI=1S/C22H25N3O5S/c1-12-17(21(29)30-4)13(2)23-18(12)19(27)14(3)31-22-24-16-9-6-5-8-15(16)20(28)25(22)10-7-11-26/h5-6,8-9,14,23,26H,7,10-11H2,1-4H3