3-bromanyl-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-ethoxy-benzamide

Systemtic Name: 3-bromanyl-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-ethoxy-benzamide Openeye Name: 3-bromo-N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-ethoxy-benzamide CAS Name: 3-bromo-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-ethoxybenzamide IUPAC Name: 3-bromo-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-ethoxybenzamide Traditional Name: 3-bromo-N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-ethoxy-benzamide Formula: C19H19BrN2O2S MolecularWeight: 419.33536

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=C(C3=C(S2)CC(CC3)C)C#N)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=C(C3=C(S2)CC(CC3)C)C#N)Br

InChI

InChI=1S/C19H19BrN2O2S/c1-3-24-16-7-5-12(9-15(16)20)18(23)22-19-14(10-21)13-6-4-11(2)8-17(13)25-19/h5,7,9,11H,3-4,6,8H2,1-2H3,(H,22,23)