[2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate

Systemtic Name: [2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: [2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid [2-keto-2-(2-methyl-1H-indol-3-yl)ethyl] ester Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)OCC(=O)C2=C(NC3=CC=CC=C32)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)OCC(=O)C2=C(NC3=CC=CC=C32)C)C

InChI

InChI=1S/C19H19N3O3S/c1-11-8-12(2)21-19(20-11)26-10-17(24)25-9-16(23)18-13(3)22-15-7-5-4-6-14(15)18/h4-8,22H,9-10H2,1-3H3