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

Systemtic Name: ethyl 3,5-dimethyl-4-[2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanylethanoyl]-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[2-(3-isopropyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[1-oxo-2-[(4-oxo-3-propan-2-yl-2-quinazolinyl)thio]ethyl]-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-4-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]-1H-pyrrole-2-carboxylate Traditional Name: 4-[2-[(3-isopropyl-4-keto-quinazolin-2-yl)thio]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C(C)C)C

InChI

InChI=1S/C22H25N3O4S/c1-6-29-21(28)19-13(4)18(14(5)23-19)17(26)11-30-22-24-16-10-8-7-9-15(16)20(27)25(22)12(2)3/h7-10,12,23H,6,11H2,1-5H3