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

Systemtic Name: methyl 2,4-dimethyl-5-[(2S)-2-phenylsulfanylpropanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[(2S)-2-phenylsulfanylpropanoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[(2S)-1-oxo-2-(phenylthio)propyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[(2S)-2-phenylsulfanylpropanoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[(2S)-2-(phenylthio)propanoyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C17H19NO3S MolecularWeight: 317.40266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)[C@H](C)SC2=CC=CC=C2

InChI

InChI=1S/C17H19NO3S/c1-10-14(17(20)21-4)11(2)18-15(10)16(19)12(3)22-13-8-6-5-7-9-13/h5-9,12,18H,1-4H3/t12-/m0/s1