ethyl 3-(3,3-dimethyl-2-oxidanylidene-butoxy)-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-(3,3-dimethyl-2-oxidanylidene-butoxy)-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-(3,3-dimethyl-2-oxo-butoxy)benzothiophene-2-carboxylate CAS Name: 3-(3,3-dimethyl-2-oxobutoxy)-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(3,3-dimethyl-2-oxobutoxy)-1-benzothiophene-2-carboxylate Traditional Name: 3-(2-keto-3,3-dimethyl-butoxy)benzothiophene-2-carboxylic acid ethyl ester Formula: C17H20O4S MolecularWeight: 320.4033

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2S1)OCC(=O)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2S1)OCC(=O)C(C)(C)C

InChI

InChI=1S/C17H20O4S/c1-5-20-16(19)15-14(21-10-13(18)17(2,3)4)11-8-6-7-9-12(11)22-15/h6-9H,5,10H2,1-4H3