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

Systemtic Name: ethyl 2,5-dimethyl-4-[2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[2-(3-isobutyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[2-[[3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-[2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]-1H-pyrrole-3-carboxylate Traditional Name: 4-[2-[(3-isobutyl-4-keto-quinazolin-2-yl)thio]acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC(C)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC(C)C)C)C

InChI

InChI=1S/C23H27N3O4S/c1-6-30-22(29)20-15(5)24-14(4)19(20)18(27)12-31-23-25-17-10-8-7-9-16(17)21(28)26(23)11-13(2)3/h7-10,13,24H,6,11-12H2,1-5H3