3-[6-chloranyl-1-(2-ethylbutanoyloxy)-2-thiophen-2-ylcarbonyl-indol-3-yl]oxy-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[6-chloranyl-1-(2-ethylbutanoyloxy)-2-thiophen-2-ylcarbonyl-indol-3-yl]oxy-3-oxidanylidene-propanoic acid Openeye Name: 3-[6-chloro-1-(2-ethylbutanoyloxy)-2-(thiophene-2-carbonyl)indol-3-yl]oxy-3-oxo-propanoic acid CAS Name: 3-[[6-chloro-1-(2-ethyl-1-oxobutoxy)-2-[oxo(thiophen-2-yl)methyl]-3-indolyl]oxy]-3-oxopropanoic acid IUPAC Name: 3-[6-chloro-1-(2-ethylbutanoyloxy)-2-(thiophene-2-carbonyl)indol-3-yl]oxy-3-oxopropanoic acid Traditional Name: 3-[6-chloro-1-(2-ethylbutanoyloxy)-2-(2-thenoyl)indol-3-yl]oxy-3-keto-propionic acid Formula: C22H20ClNO7S MolecularWeight: 477.9147

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)ON1C2=C(C=CC(=C2)Cl)C(=C1C(=O)C3=CC=CS3)OC(=O)CC(=O)O

Isomeric SMILES

CCC(CC)C(=O)ON1C2=C(C=CC(=C2)Cl)C(=C1C(=O)C3=CC=CS3)OC(=O)CC(=O)O

InChI

InChI=1S/C22H20ClNO7S/c1-3-12(4-2)22(29)31-24-15-10-13(23)7-8-14(15)21(30-18(27)11-17(25)26)19(24)20(28)16-6-5-9-32-16/h5-10,12H,3-4,11H2,1-2H3,(H,25,26)