methyl 4-[2,5-dimethyl-3-[2-(4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanylethanoyl]pyrrol-1-yl]butanoate

Systemtic Name: methyl 4-[2,5-dimethyl-3-[2-(4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanylethanoyl]pyrrol-1-yl]butanoate Openeye Name: methyl 4-[2,5-dimethyl-3-[2-(4-oxo-3-propyl-quinazolin-2-yl)sulfanylacetyl]pyrrol-1-yl]butanoate CAS Name: 4-[2,5-dimethyl-3-[1-oxo-2-[(4-oxo-3-propyl-2-quinazolinyl)thio]ethyl]-1-pyrrolyl]butanoic acid methyl ester IUPAC Name: methyl 4-[2,5-dimethyl-3-[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]pyrrol-1-yl]butanoate Traditional Name: 4-[3-[2-[(4-keto-3-propyl-quinazolin-2-yl)thio]acetyl]-2,5-dimethyl-pyrrol-1-yl]butyric acid methyl ester Formula: C24H29N3O4S MolecularWeight: 455.56976

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=C(N(C(=C3)C)CCCC(=O)OC)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=C(N(C(=C3)C)CCCC(=O)OC)C

InChI

InChI=1S/C24H29N3O4S/c1-5-12-27-23(30)18-9-6-7-10-20(18)25-24(27)32-15-21(28)19-14-16(2)26(17(19)3)13-8-11-22(29)31-4/h6-7,9-10,14H,5,8,11-13,15H2,1-4H3