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

Systemtic Name: ethyl 3,5-dimethyl-4-[2-[3-(3-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3,5-dimethyl-4-[2-[3-(3-methyl-2-pyridyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[2-[[3-(3-methyl-2-pyridinyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-4-[2-[3-(3-methylpyridin-2-yl)-4-oxoquinazolin-2-yl]sulfanylacetyl]-1H-pyrrole-2-carboxylate Traditional Name: 4-[2-[[4-keto-3-(3-methyl-2-pyridyl)quinazolin-2-yl]thio]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C25H24N4O4S MolecularWeight: 476.54746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=C(C=CC=N4)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=C(C=CC=N4)C)C

InChI

InChI=1S/C25H24N4O4S/c1-5-33-24(32)21-15(3)20(16(4)27-21)19(30)13-34-25-28-18-11-7-6-10-17(18)23(31)29(25)22-14(2)9-8-12-26-22/h6-12,27H,5,13H2,1-4H3