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

Systemtic Name: ethyl 5-[2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[(3-hexyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[(3-hexyl-4-keto-quinazolin-2-yl)thio]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=C(C(=C(N3)C)C(=O)OCC)C

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=C(C(=C(N3)C)C(=O)OCC)C

InChI

InChI=1S/C25H31N3O4S/c1-5-7-8-11-14-28-23(30)18-12-9-10-13-19(18)27-25(28)33-15-20(29)22-16(3)21(17(4)26-22)24(31)32-6-2/h9-10,12-13,26H,5-8,11,14-15H2,1-4H3