(2-bromanyl-4-cyano-6-ethoxy-phenyl) 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: (2-bromanyl-4-cyano-6-ethoxy-phenyl) 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: (2-bromo-4-cyano-6-ethoxy-phenyl) 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid (2-bromo-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-bromo-4-cyano-6-ethoxyphenyl) 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid (2-bromo-4-cyano-6-ethoxy-phenyl) ester Formula: C18H16BrNO3S MolecularWeight: 406.29354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)C2=CC3=C(S2)CCCC3

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)C2=CC3=C(S2)CCCC3

InChI

InChI=1S/C18H16BrNO3S/c1-2-22-14-8-11(10-20)7-13(19)17(14)23-18(21)16-9-12-5-3-4-6-15(12)24-16/h7-9H,2-6H2,1H3