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

Systemtic Name: ethyl 4-[2-[3-(3-ethoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[2-[3-(3-ethoxypropyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[2-[[3-(3-ethoxypropyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[3-(3-ethoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[2-[[3-(3-ethoxypropyl)-4-keto-quinazolin-2-yl]thio]acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C24H29N3O5S MolecularWeight: 471.56916

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=C(NC(=C3C(=O)OCC)C)C

Isomeric SMILES

CCOCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=C(NC(=C3C(=O)OCC)C)C

InChI

InChI=1S/C24H29N3O5S/c1-5-31-13-9-12-27-22(29)17-10-7-8-11-18(17)26-24(27)33-14-19(28)20-15(3)25-16(4)21(20)23(30)32-6-2/h7-8,10-11,25H,5-6,9,12-14H2,1-4H3