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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4C)C)C

InChI

InChI=1S/C26H25N3O4S/c1-5-33-25(32)23-17(4)27-16(3)22(23)21(30)14-34-26-28-19-12-8-7-11-18(19)24(31)29(26)20-13-9-6-10-15(20)2/h6-13,27H,5,14H2,1-4H3