(3S)-3-(2,5-dimethylpyrrol-1-yl)-3-thiophen-3-yl-propanoate

Systemtic Name: (3S)-3-(2,5-dimethylpyrrol-1-yl)-3-thiophen-3-yl-propanoate Openeye Name: (3S)-3-(2,5-dimethylpyrrol-1-yl)-3-(3-thienyl)propanoate CAS Name: (3S)-3-(2,5-dimethyl-1-pyrrolyl)-3-(3-thiophenyl)propanoate IUPAC Name: (3S)-3-(2,5-dimethylpyrrol-1-yl)-3-thiophen-3-ylpropanoate Traditional Name: (3S)-3-(2,5-dimethylpyrrol-1-yl)-3-(3-thienyl)propionate Formula: C13H14NO2S- MolecularWeight: 248.32076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C(CC(=O)[O-])C2=CSC=C2)C

Isomeric SMILES

CC1=CC=C(N1[C@@H](CC(=O)[O-])C2=CSC=C2)C

InChI

InChI=1S/C13H15NO2S/c1-9-3-4-10(2)14(9)12(7-13(15)16)11-5-6-17-8-11/h3-6,8,12H,7H2,1-2H3,(H,15,16)/p-1/t12-/m0/s1