(E)-3-(4-ethylsulfanyl-1,2-dimethyl-indol-5-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(4-ethylsulfanyl-1,2-dimethyl-indol-5-yl)prop-2-enoic acid Openeye Name: (E)-3-(4-ethylsulfanyl-1,2-dimethyl-indol-5-yl)prop-2-enoic acid CAS Name: (E)-3-[4-(ethylthio)-1,2-dimethyl-5-indolyl]-2-propenoic acid IUPAC Name: (E)-3-(4-ethylsulfanyl-1,2-dimethylindol-5-yl)prop-2-enoic acid Traditional Name: (E)-3-[4-(ethylthio)-1,2-dimethyl-indol-5-yl]acrylic acid Formula: C15H17NO2S MolecularWeight: 275.36598

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=CC2=C1C=C(N2C)C)C=CC(=O)O

Isomeric SMILES

CCSC1=C(C=CC2=C1C=C(N2C)C)/C=C/C(=O)O

InChI

InChI=1S/C15H17NO2S/c1-4-19-15-11(6-8-14(17)18)5-7-13-12(15)9-10(2)16(13)3/h5-9H,4H2,1-3H3,(H,17,18)/b8-6+