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

Systemtic Name: ethyl 2,4-dimethyl-5-[2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanylethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCO)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCO)C

InChI

InChI=1S/C22H25N3O5S/c1-4-30-21(29)18-13(2)19(23-14(18)3)17(27)12-31-22-24-16-9-6-5-8-15(16)20(28)25(22)10-7-11-26/h5-6,8-9,23,26H,4,7,10-12H2,1-3H3