(5S)-N-[(5-bromanyl-2-methoxy-phenyl)methyl]-5-ethyl-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: (5S)-N-[(5-bromanyl-2-methoxy-phenyl)methyl]-5-ethyl-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: (5S)-N-[(5-bromo-2-methoxy-phenyl)methyl]-5-ethyl-N-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: (5S)-N-[(5-bromo-2-methoxyphenyl)methyl]-5-ethyl-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: (5S)-N-[(5-bromo-2-methoxyphenyl)methyl]-5-ethyl-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: (5S)-N-(5-bromo-2-methoxy-benzyl)-5-ethyl-N-methyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C20H24BrNO2S MolecularWeight: 422.37906

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)C=C(S2)C(=O)N(C)CC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CC[C@H]1CCC2=C(C1)C=C(S2)C(=O)N(C)CC3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C20H24BrNO2S/c1-4-13-5-8-18-14(9-13)11-19(25-18)20(23)22(2)12-15-10-16(21)6-7-17(15)24-3/h6-7,10-11,13H,4-5,8-9,12H2,1-3H3/t13-/m0/s1