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

Systemtic Name: methyl 2,4-dimethyl-5-[2-[3-[(4-methylphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[2-[4-oxo-3-(p-tolylmethyl)quinazolin-2-yl]sulfanylacetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[2-[[3-[(4-methylphenyl)methyl]-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[2-[3-[(4-methylphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetyl]-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[[4-keto-3-(4-methylbenzyl)quinazolin-2-yl]thio]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C26H25N3O4S MolecularWeight: 475.5594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=C(C(=C(N4)C)C(=O)OC)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)C4=C(C(=C(N4)C)C(=O)OC)C

InChI

InChI=1S/C26H25N3O4S/c1-15-9-11-18(12-10-15)13-29-24(31)19-7-5-6-8-20(19)28-26(29)34-14-21(30)23-16(2)22(17(3)27-23)25(32)33-4/h5-12,27H,13-14H2,1-4H3