(3,3-dimethyl-2-oxidanylidene-butyl) 3-chloranyl-6-methoxy-1-benzothiophene-2-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 3-chloranyl-6-methoxy-1-benzothiophene-2-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 3-chloro-6-methoxy-benzothiophene-2-carboxylate CAS Name: 3-chloro-6-methoxy-1-benzothiophene-2-carboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 3-chloro-6-methoxy-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-methoxy-benzothiophene-2-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C16H17ClO4S MolecularWeight: 340.82178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=C(C2=C(S1)C=C(C=C2)OC)Cl

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=C(C2=C(S1)C=C(C=C2)OC)Cl

InChI

InChI=1S/C16H17ClO4S/c1-16(2,3)12(18)8-21-15(19)14-13(17)10-6-5-9(20-4)7-11(10)22-14/h5-7H,8H2,1-4H3