O1-(6-chloranyl-1H-indol-3-yl) O3-ethyl 2-ethyl-2-thiophen-2-ylcarbonyl-propanedioate

Systemtic Name: O1-(6-chloranyl-1H-indol-3-yl) O3-ethyl 2-ethyl-2-thiophen-2-ylcarbonyl-propanedioate Openeye Name: O1-(6-chloro-1H-indol-3-yl) O3-ethyl 2-ethyl-2-(thiophene-2-carbonyl)propanedioate CAS Name: 2-ethyl-2-[oxo(thiophen-2-yl)methyl]propanedioic acid O1-(6-chloro-1H-indol-3-yl) ester O3-ethyl ester IUPAC Name: 1-O-(6-chloro-1H-indol-3-yl) 3-O-ethyl 2-ethyl-2-(thiophene-2-carbonyl)propanedioate Traditional Name: 2-ethyl-2-(2-thenoyl)malonic acid O1-(6-chloro-1H-indol-3-yl) ester O3-ethyl ester Formula: C20H18ClNO5S MolecularWeight: 419.87862

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C1=CC=CS1)(C(=O)OCC)C(=O)OC2=CNC3=C2C=CC(=C3)Cl

Isomeric SMILES

CCC(C(=O)C1=CC=CS1)(C(=O)OCC)C(=O)OC2=CNC3=C2C=CC(=C3)Cl

InChI

InChI=1S/C20H18ClNO5S/c1-3-20(18(24)26-4-2,17(23)16-6-5-9-28-16)19(25)27-15-11-22-14-10-12(21)7-8-13(14)15/h5-11,22H,3-4H2,1-2H3