(E)-3-[4-ethylsulfanyl-2-methyl-1-(phenylmethyl)-6,7-dihydroindol-5-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-ethylsulfanyl-2-methyl-1-(phenylmethyl)-6,7-dihydroindol-5-yl]prop-2-enoic acid Openeye Name: (E)-3-(1-benzyl-4-ethylsulfanyl-2-methyl-6,7-dihydroindol-5-yl)prop-2-enoic acid CAS Name: (E)-3-[4-(ethylthio)-2-methyl-1-(phenylmethyl)-6,7-dihydroindol-5-yl]-2-propenoic acid IUPAC Name: (E)-3-(1-benzyl-4-ethylsulfanyl-2-methyl-6,7-dihydroindol-5-yl)prop-2-enoic acid Traditional Name: (E)-3-[1-benzyl-4-(ethylthio)-2-methyl-6,7-dihydroindol-5-yl]acrylic acid Formula: C21H23NO2S MolecularWeight: 353.47782

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(CCC2=C1C=C(N2CC3=CC=CC=C3)C)C=CC(=O)O

Isomeric SMILES

CCSC1=C(CCC2=C1C=C(N2CC3=CC=CC=C3)C)/C=C/C(=O)O

InChI

InChI=1S/C21H23NO2S/c1-3-25-21-17(10-12-20(23)24)9-11-19-18(21)13-15(2)22(19)14-16-7-5-4-6-8-16/h4-8,10,12-13H,3,9,11,14H2,1-2H3,(H,23,24)/b12-10+