(E)-3-[2,5-dimethyl-1-(4-methylsulfanylphenyl)pyrrol-3-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[2,5-dimethyl-1-(4-methylsulfanylphenyl)pyrrol-3-yl]prop-2-enoic acid Openeye Name: (E)-3-[2,5-dimethyl-1-(4-methylsulfanylphenyl)pyrrol-3-yl]prop-2-enoic acid CAS Name: (E)-3-[2,5-dimethyl-1-[4-(methylthio)phenyl]-3-pyrrolyl]-2-propenoic acid IUPAC Name: (E)-3-[2,5-dimethyl-1-(4-methylsulfanylphenyl)pyrrol-3-yl]prop-2-enoic acid Traditional Name: (E)-3-[2,5-dimethyl-1-[4-(methylthio)phenyl]pyrrol-3-yl]acrylic acid Formula: C16H17NO2S MolecularWeight: 287.37668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)SC)C)C=CC(=O)O

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)SC)C)/C=C/C(=O)O

InChI

InChI=1S/C16H17NO2S/c1-11-10-13(4-9-16(18)19)12(2)17(11)14-5-7-15(20-3)8-6-14/h4-10H,1-3H3,(H,18,19)/b9-4+