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

Systemtic Name: ethyl 2,4-dimethyl-5-[2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[2-(4-oxo-3-phenyl-quinazolin-2-yl)sulfanylacetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[1-oxo-2-[(4-oxo-3-phenyl-2-quinazolinyl)thio]ethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetyl]-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[(4-keto-3-phenyl-quinazolin-2-yl)thio]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4)C

InChI

InChI=1S/C25H23N3O4S/c1-4-32-24(31)21-15(2)22(26-16(21)3)20(29)14-33-25-27-19-13-9-8-12-18(19)23(30)28(25)17-10-6-5-7-11-17/h5-13,26H,4,14H2,1-3H3