ethyl 2-(3-bromanyl-6-methyl-4,5,6,7-tetrahydro-2-benzothiophen-1-yl)-2-oxidanylidene-ethanoate

Systemtic Name: ethyl 2-(3-bromanyl-6-methyl-4,5,6,7-tetrahydro-2-benzothiophen-1-yl)-2-oxidanylidene-ethanoate Openeye Name: ethyl 2-(3-bromo-6-methyl-4,5,6,7-tetrahydro-2-benzothiophen-1-yl)-2-oxo-acetate CAS Name: 2-(3-bromo-6-methyl-4,5,6,7-tetrahydro-2-benzothiophen-1-yl)-2-oxoacetic acid ethyl ester IUPAC Name: ethyl 2-(3-bromo-6-methyl-4,5,6,7-tetrahydro-2-benzothiophen-1-yl)-2-oxoacetate Traditional Name: 2-(3-bromo-6-methyl-4,5,6,7-tetrahydroisobenzothiophen-1-yl)-2-keto-acetic acid ethyl ester Formula: C13H15BrO3S MolecularWeight: 331.2254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)C1=C2CC(CCC2=C(S1)Br)C

Isomeric SMILES

CCOC(=O)C(=O)C1=C2CC(CCC2=C(S1)Br)C

InChI

InChI=1S/C13H15BrO3S/c1-3-17-13(16)10(15)11-9-6-7(2)4-5-8(9)12(14)18-11/h7H,3-6H2,1-2H3