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

Systemtic Name: methyl 5-[2-[3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[2-[3-(2-furylmethyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[[3-(2-furanylmethyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[[3-(2-furfuryl)-4-keto-quinazolin-2-yl]thio]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C23H21N3O5S MolecularWeight: 451.49494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CO4

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CO4

InChI

InChI=1S/C23H21N3O5S/c1-13-19(22(29)30-3)14(2)24-20(13)18(27)12-32-23-25-17-9-5-4-8-16(17)21(28)26(23)11-15-7-6-10-31-15/h4-10,24H,11-12H2,1-3H3