[1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxidanylidene-propan-2-yl] 3-chloranyl-5-methoxy-4-(2-methylpropoxy)benzoate

Systemtic Name: [1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxidanylidene-propan-2-yl] 3-chloranyl-5-methoxy-4-(2-methylpropoxy)benzoate Openeye Name: [2-[5-(acetamidomethyl)-2-thienyl]-1-methyl-2-oxo-ethyl] 3-chloro-4-isobutoxy-5-methoxy-benzoate CAS Name: 3-chloro-5-methoxy-4-(2-methylpropoxy)benzoic acid [1-[5-(acetamidomethyl)-2-thiophenyl]-1-oxopropan-2-yl] ester IUPAC Name: [1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 3-chloro-5-methoxy-4-(2-methylpropoxy)benzoate Traditional Name: 3-chloro-4-isobutoxy-5-methoxy-benzoic acid [2-[5-(acetamidomethyl)-2-thienyl]-2-keto-1-methyl-ethyl] ester Formula: C22H26ClNO6S MolecularWeight: 467.96294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1Cl)C(=O)OC(C)C(=O)C2=CC=C(S2)CNC(=O)C)OC

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1Cl)C(=O)OC(C)C(=O)C2=CC=C(S2)CNC(=O)C)OC

InChI

InChI=1S/C22H26ClNO6S/c1-12(2)11-29-21-17(23)8-15(9-18(21)28-5)22(27)30-13(3)20(26)19-7-6-16(31-19)10-24-14(4)25/h6-9,12-13H,10-11H2,1-5H3,(H,24,25)