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

Systemtic Name: ethyl 2,4-dimethyl-5-[2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanylpropanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-(3-isopropyl-4-oxo-quinazolin-2-yl)sulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[1-oxo-2-[(4-oxo-3-propan-2-yl-2-quinazolinyl)thio]propyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanoyl]-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[(3-isopropyl-4-keto-quinazolin-2-yl)thio]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C23H27N3O4S MolecularWeight: 441.54318

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)N2C(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2C(C)C)C

InChI

InChI=1S/C23H27N3O4S/c1-7-30-22(29)18-13(4)19(24-14(18)5)20(27)15(6)31-23-25-17-11-9-8-10-16(17)21(28)26(23)12(2)3/h8-12,15,24H,7H2,1-6H3