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

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

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)N2C(C)COC

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C(C)COC

InChI

InChI=1S/C23H27N3O5S/c1-12(11-30-5)26-21(28)16-9-7-8-10-17(16)25-23(26)32-15(4)20(27)19-13(2)18(14(3)24-19)22(29)31-6/h7-10,12,15,24H,11H2,1-6H3