(6S)-N-(4-bromanyl-2-ethyl-phenyl)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: (6S)-N-(4-bromanyl-2-ethyl-phenyl)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: (6S)-N-(4-bromo-2-ethyl-phenyl)-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: (6S)-N-(4-bromo-2-ethylphenyl)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: (6S)-N-(4-bromo-2-ethylphenyl)-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: (6S)-N-(4-bromo-2-ethyl-phenyl)-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H26BrNOS MolecularWeight: 420.40624

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)NC(=O)C2=CSC3=C2CCC(C3)C(C)(C)C

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)NC(=O)C2=CSC3=C2CC[C@@H](C3)C(C)(C)C

InChI

InChI=1S/C21H26BrNOS/c1-5-13-10-15(22)7-9-18(13)23-20(24)17-12-25-19-11-14(21(2,3)4)6-8-16(17)19/h7,9-10,12,14H,5-6,8,11H2,1-4H3,(H,23,24)/t14-/m0/s1