ethyl 2,4-dimethyl-5-[(2S)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylpropanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[(2S)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylpropanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[(2S)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[(2S)-2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxopropyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[(2S)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropanoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[(2S)-2-[(1-oxidopyridin-1-ium-2-yl)thio]propanoyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C17H20N2O4S MolecularWeight: 348.4167

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)SC2=CC=CC=[N+]2[O-])C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)[C@H](C)SC2=CC=CC=[N+]2[O-])C

InChI

InChI=1S/C17H20N2O4S/c1-5-23-17(21)14-10(2)15(18-11(14)3)16(20)12(4)24-13-8-6-7-9-19(13)22/h6-9,12,18H,5H2,1-4H3/t12-/m0/s1