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

Systemtic Name: ethyl 4-[2-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[2-(3-ethyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[2-[(3-ethyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[2-[(3-ethyl-4-keto-quinazolin-2-yl)thio]acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=C(NC(=C3C(=O)OCC)C)C

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=C(NC(=C3C(=O)OCC)C)C

InChI

InChI=1S/C21H23N3O4S/c1-5-24-19(26)14-9-7-8-10-15(14)23-21(24)29-11-16(25)17-12(3)22-13(4)18(17)20(27)28-6-2/h7-10,22H,5-6,11H2,1-4H3