methyl 4-[2,5-dimethyl-3-[2-(2-methylquinazolin-4-yl)sulfanylethanoyl]pyrrol-1-yl]butanoate

Systemtic Name: methyl 4-[2,5-dimethyl-3-[2-(2-methylquinazolin-4-yl)sulfanylethanoyl]pyrrol-1-yl]butanoate Openeye Name: methyl 4-[2,5-dimethyl-3-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]pyrrol-1-yl]butanoate CAS Name: 4-[2,5-dimethyl-3-[2-[(2-methyl-4-quinazolinyl)thio]-1-oxoethyl]-1-pyrrolyl]butanoic acid methyl ester IUPAC Name: methyl 4-[2,5-dimethyl-3-[2-(2-methylquinazolin-4-yl)sulfanylacetyl]pyrrol-1-yl]butanoate Traditional Name: 4-[2,5-dimethyl-3-[2-[(2-methylquinazolin-4-yl)thio]acetyl]pyrrol-1-yl]butyric acid methyl ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCCC(=O)OC)C)C(=O)CSC2=NC(=NC3=CC=CC=C32)C

Isomeric SMILES

CC1=CC(=C(N1CCCC(=O)OC)C)C(=O)CSC2=NC(=NC3=CC=CC=C32)C

InChI

InChI=1S/C22H25N3O3S/c1-14-12-18(15(2)25(14)11-7-10-21(27)28-4)20(26)13-29-22-17-8-5-6-9-19(17)23-16(3)24-22/h5-6,8-9,12H,7,10-11,13H2,1-4H3