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

Systemtic Name: methyl 2,4-dimethyl-5-[2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylpropanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]propanoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[1-oxo-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]propyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylpropanoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]propanoyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C20H25N3O5S2 MolecularWeight: 451.5596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)SC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)SC2=NC=C(C=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C20H25N3O5S2/c1-12-17(20(25)28-4)13(2)22-18(12)19(24)14(3)29-16-8-7-15(11-21-16)30(26,27)23-9-5-6-10-23/h7-8,11,14,22H,5-6,9-10H2,1-4H3