methyl 5-[(2S)-2-(furan-2-ylmethylsulfanyl)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-[(2S)-2-(furan-2-ylmethylsulfanyl)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[(2S)-2-(2-furylmethylsulfanyl)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(2S)-2-(2-furanylmethylthio)-1-oxopropyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[(2S)-2-(furan-2-ylmethylsulfanyl)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(2S)-2-(2-furfurylthio)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C16H19NO4S MolecularWeight: 321.39136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)SCC2=CC=CO2

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)[C@H](C)SCC2=CC=CO2

InChI

InChI=1S/C16H19NO4S/c1-9-13(16(19)20-4)10(2)17-14(9)15(18)11(3)22-8-12-6-5-7-21-12/h5-7,11,17H,8H2,1-4H3/t11-/m0/s1