methyl 2-methylsulfanyl-2-[4-(1-oxidanylidene-2,3-dihydroindol-1-ium-2-yl)phenyl]propanoate

Systemtic Name: methyl 2-methylsulfanyl-2-[4-(1-oxidanylidene-2,3-dihydroindol-1-ium-2-yl)phenyl]propanoate Openeye Name: methyl 2-methylsulfanyl-2-[4-(1-oxoindolin-1-ium-2-yl)phenyl]propanoate CAS Name: 2-(methylthio)-2-[4-(1-oxo-2,3-dihydroindol-1-ium-2-yl)phenyl]propanoic acid methyl ester IUPAC Name: methyl 2-methylsulfanyl-2-[4-(1-oxo-2,3-dihydroindol-1-ium-2-yl)phenyl]propanoate Traditional Name: 2-[4-(1-ketoindolin-1-ium-2-yl)phenyl]-2-(methylthio)propionic acid methyl ester Formula: C19H20NO3S+ MolecularWeight: 342.432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C2CC3=CC=CC=C3[N+]2=O)(C(=O)OC)SC

Isomeric SMILES

CC(C1=CC=C(C=C1)C2CC3=CC=CC=C3[N+]2=O)(C(=O)OC)SC

InChI

InChI=1S/C19H20NO3S/c1-19(24-3,18(21)23-2)15-10-8-13(9-11-15)17-12-14-6-4-5-7-16(14)20(17)22/h4-11,17H,12H2,1-3H3/q+1