3-[1-(3,5-dimethylphenyl)-5-thiophen-2-yl-pyrrol-2-yl]propanoate

Systemtic Name: 3-[1-(3,5-dimethylphenyl)-5-thiophen-2-yl-pyrrol-2-yl]propanoate Openeye Name: 3-[1-(3,5-dimethylphenyl)-5-(2-thienyl)pyrrol-2-yl]propanoate CAS Name: 3-[1-(3,5-dimethylphenyl)-5-thiophen-2-yl-2-pyrrolyl]propanoate IUPAC Name: 3-[1-(3,5-dimethylphenyl)-5-thiophen-2-ylpyrrol-2-yl]propanoate Traditional Name: 3-[1-(3,5-dimethylphenyl)-5-(2-thienyl)pyrrol-2-yl]propionate Formula: C19H18NO2S- MolecularWeight: 324.41672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=CC=C2C3=CC=CS3)CCC(=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=CC=C2C3=CC=CS3)CCC(=O)[O-])C

InChI

InChI=1S/C19H19NO2S/c1-13-10-14(2)12-16(11-13)20-15(6-8-19(21)22)5-7-17(20)18-4-3-9-23-18/h3-5,7,9-12H,6,8H2,1-2H3,(H,21,22)/p-1