diethyl 2-acetyloxy-2-(6-chloranyl-2-thiophen-2-ylcarbonyl-1H-indol-3-yl)propanedioate

Systemtic Name: diethyl 2-acetyloxy-2-(6-chloranyl-2-thiophen-2-ylcarbonyl-1H-indol-3-yl)propanedioate Openeye Name: diethyl 2-acetoxy-2-[6-chloro-2-(thiophene-2-carbonyl)-1H-indol-3-yl]propanedioate CAS Name: 2-acetyloxy-2-[6-chloro-2-[oxo(thiophen-2-yl)methyl]-1H-indol-3-yl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetyloxy-2-[6-chloro-2-(thiophene-2-carbonyl)-1H-indol-3-yl]propanedioate Traditional Name: 2-acetoxy-2-[6-chloro-2-(2-thenoyl)-1H-indol-3-yl]malonic acid diethyl ester Formula: C22H20ClNO7S MolecularWeight: 477.9147

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=C(NC2=C1C=CC(=C2)Cl)C(=O)C3=CC=CS3)(C(=O)OCC)OC(=O)C

Isomeric SMILES

CCOC(=O)C(C1=C(NC2=C1C=CC(=C2)Cl)C(=O)C3=CC=CS3)(C(=O)OCC)OC(=O)C

InChI

InChI=1S/C22H20ClNO7S/c1-4-29-20(27)22(31-12(3)25,21(28)30-5-2)17-14-9-8-13(23)11-15(14)24-18(17)19(26)16-7-6-10-32-16/h6-11,24H,4-5H2,1-3H3