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

Systemtic Name: ethyl 5-[2-(3-butan-2-yl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[2-(4-oxo-3-sec-butyl-quinazolin-2-yl)sulfanylacetyl]-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[(3-butan-2-yl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanylacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[(4-keto-3-sec-butyl-quinazolin-2-yl)thio]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=C(C(=C(N3)C)C(=O)OCC)C

Isomeric SMILES

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=C(C(=C(N3)C)C(=O)OCC)C

InChI

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