dimethyl 5-[3-[2-(1-cyclopropylimidazol-2-yl)sulfanylethanoyl]-2,5-dimethyl-pyrrol-1-yl]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[3-[2-(1-cyclopropylimidazol-2-yl)sulfanylethanoyl]-2,5-dimethyl-pyrrol-1-yl]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[3-[2-(1-cyclopropylimidazol-2-yl)sulfanylacetyl]-2,5-dimethyl-pyrrol-1-yl]benzene-1,3-dicarboxylate CAS Name: 5-[3-[2-[(1-cyclopropyl-2-imidazolyl)thio]-1-oxoethyl]-2,5-dimethyl-1-pyrrolyl]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[3-[2-(1-cyclopropylimidazol-2-yl)sulfanylacetyl]-2,5-dimethylpyrrol-1-yl]benzene-1,3-dicarboxylate Traditional Name: 5-[3-[2-[(1-cyclopropylimidazol-2-yl)thio]acetyl]-2,5-dimethyl-pyrrol-1-yl]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C24H25N3O5S MolecularWeight: 467.5374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC(=C2)C(=O)OC)C(=O)OC)C)C(=O)CSC3=NC=CN3C4CC4

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC(=C2)C(=O)OC)C(=O)OC)C)C(=O)CSC3=NC=CN3C4CC4

InChI

InChI=1S/C24H25N3O5S/c1-14-9-20(21(28)13-33-24-25-7-8-26(24)18-5-6-18)15(2)27(14)19-11-16(22(29)31-3)10-17(12-19)23(30)32-4/h7-12,18H,5-6,13H2,1-4H3