methyl 5-[2-[4-(cyclopropylcarbamoyl)quinolin-2-yl]sulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-[2-[4-(cyclopropylcarbamoyl)quinolin-2-yl]sulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[2-[[4-(cyclopropylcarbamoyl)-2-quinolyl]sulfanyl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[[4-[(cyclopropylamino)-oxomethyl]-2-quinolinyl]thio]-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[2-[4-(cyclopropylcarbamoyl)quinolin-2-yl]sulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[[4-(cyclopropylcarbamoyl)-2-quinolyl]thio]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C24H25N3O4S MolecularWeight: 451.538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)SC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)SC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

InChI

InChI=1S/C24H25N3O4S/c1-12-20(24(30)31-4)13(2)25-21(12)22(28)14(3)32-19-11-17(23(29)26-15-9-10-15)16-7-5-6-8-18(16)27-19/h5-8,11,14-15,25H,9-10H2,1-4H3,(H,26,29)