(5-methylsulfanyl-1H-indol-3-yl) 2-methyl-3-(4-methylpyridin-2-yl)-3-oxidanylidene-propanoate

Systemtic Name: (5-methylsulfanyl-1H-indol-3-yl) 2-methyl-3-(4-methylpyridin-2-yl)-3-oxidanylidene-propanoate Openeye Name: (5-methylsulfanyl-1H-indol-3-yl) 2-methyl-3-(4-methyl-2-pyridyl)-3-oxo-propanoate CAS Name: 2-methyl-3-(4-methyl-2-pyridinyl)-3-oxopropanoic acid [5-(methylthio)-1H-indol-3-yl] ester IUPAC Name: (5-methylsulfanyl-1H-indol-3-yl) 2-methyl-3-(4-methylpyridin-2-yl)-3-oxopropanoate Traditional Name: 3-keto-2-methyl-3-(4-methyl-2-pyridyl)propionic acid [5-(methylthio)-1H-indol-3-yl] ester Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)C(=O)C(C)C(=O)OC2=CNC3=C2C=C(C=C3)SC

Isomeric SMILES

CC1=CC(=NC=C1)C(=O)C(C)C(=O)OC2=CNC3=C2C=C(C=C3)SC

InChI

InChI=1S/C19H18N2O3S/c1-11-6-7-20-16(8-11)18(22)12(2)19(23)24-17-10-21-15-5-4-13(25-3)9-14(15)17/h4-10,12,21H,1-3H3