ethyl 5-[(2S)-2-(3-aminocarbonyl-4,6-dimethyl-pyridin-2-yl)sulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[(2S)-2-(3-aminocarbonyl-4,6-dimethyl-pyridin-2-yl)sulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(2S)-2-[(3-carbamoyl-4,6-dimethyl-2-pyridyl)sulfanyl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(2S)-2-[(3-carbamoyl-4,6-dimethyl-2-pyridinyl)thio]-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(2S)-2-(3-carbamoyl-4,6-dimethylpyridin-2-yl)sulfanylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(2S)-2-[(3-carbamoyl-4,6-dimethyl-2-pyridyl)thio]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)SC2=C(C(=CC(=N2)C)C)C(=O)N)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)[C@H](C)SC2=C(C(=CC(=N2)C)C)C(=O)N)C

InChI

InChI=1S/C20H25N3O4S/c1-7-27-20(26)15-11(4)16(23-12(15)5)17(24)13(6)28-19-14(18(21)25)9(2)8-10(3)22-19/h8,13,23H,7H2,1-6H3,(H2,21,25)/t13-/m0/s1