methyl 5-[2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-[2-(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[2-(3-butyl-4-oxo-quinazolin-2-yl)sulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[(3-butyl-4-oxo-2-quinazolinyl)thio]-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[(3-butyl-4-keto-quinazolin-2-yl)thio]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)C3=C(C(=C(N3)C)C(=O)OC)C

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)C3=C(C(=C(N3)C)C(=O)OC)C

InChI

InChI=1S/C23H27N3O4S/c1-6-7-12-26-21(28)16-10-8-9-11-17(16)25-23(26)31-15(4)20(27)19-13(2)18(14(3)24-19)22(29)30-5/h8-11,15,24H,6-7,12H2,1-5H3