3-(2-bromanyl-4,5-dimethoxy-phenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide

Systemtic Name: 3-(2-bromanyl-4,5-dimethoxy-phenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide Openeye Name: 3-(2-bromo-4,5-dimethoxy-phenyl)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)propanamide CAS Name: 3-(2-bromo-4,5-dimethoxyphenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide IUPAC Name: 3-(2-bromo-4,5-dimethoxyphenyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide Traditional Name: 3-(2-bromo-4,5-dimethoxy-phenyl)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)propionamide Formula: C20H21BrN2O3S MolecularWeight: 449.36134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCC(=O)NC2=C(C3=C(S2)CCCC3)C#N)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCC(=O)NC2=C(C3=C(S2)CCCC3)C#N)Br)OC

InChI

InChI=1S/C20H21BrN2O3S/c1-25-16-9-12(15(21)10-17(16)26-2)7-8-19(24)23-20-14(11-22)13-5-3-4-6-18(13)27-20/h9-10H,3-8H2,1-2H3,(H,23,24)