dimethyl 5-[2,5-dimethyl-3-[2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoyl]pyrrol-1-yl]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2,5-dimethyl-3-[2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoyl]pyrrol-1-yl]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[3-[2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]-2,5-dimethyl-pyrrol-1-yl]benzene-1,3-dicarboxylate CAS Name: 5-[2,5-dimethyl-3-[1-oxo-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]ethyl]-1-pyrrolyl]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[2,5-dimethyl-3-[2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetyl]pyrrol-1-yl]benzene-1,3-dicarboxylate Traditional Name: 5-[3-[2-[(3-allyl-4-keto-quinazolin-2-yl)thio]acetyl]-2,5-dimethyl-pyrrol-1-yl]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C29H27N3O6S MolecularWeight: 545.60618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC(=C2)C(=O)OC)C(=O)OC)C)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CC=C

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC(=C2)C(=O)OC)C(=O)OC)C)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CC=C

InChI

InChI=1S/C29H27N3O6S/c1-6-11-31-26(34)22-9-7-8-10-24(22)30-29(31)39-16-25(33)23-12-17(2)32(18(23)3)21-14-19(27(35)37-4)13-20(15-21)28(36)38-5/h6-10,12-15H,1,11,16H2,2-5H3