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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=C(NC(=C3C)C(=O)OCC)C

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=C(NC(=C3C)C(=O)OCC)C

InChI

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