methyl 2-[3-ethanoyl-1-(phenylsulfonyl)indol-4-yl]sulfanylethanoate

Systemtic Name: methyl 2-[3-ethanoyl-1-(phenylsulfonyl)indol-4-yl]sulfanylethanoate Openeye Name: methyl 2-[3-acetyl-1-(benzenesulfonyl)indol-4-yl]sulfanylacetate CAS Name: 2-[[3-acetyl-1-(benzenesulfonyl)-4-indolyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[3-acetyl-1-(benzenesulfonyl)indol-4-yl]sulfanylacetate Traditional Name: 2-[(3-acetyl-1-besyl-indol-4-yl)thio]acetic acid methyl ester Formula: C19H17NO5S2 MolecularWeight: 403.47198

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CN(C2=C1C(=CC=C2)SCC(=O)OC)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CN(C2=C1C(=CC=C2)SCC(=O)OC)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H17NO5S2/c1-13(21)15-11-20(27(23,24)14-7-4-3-5-8-14)16-9-6-10-17(19(15)16)26-12-18(22)25-2/h3-11H,12H2,1-2H3