2-[(1E,3E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]-N-octyl-1-benzothiophene-6-carboxamide

Systemtic Name: 2-[(1E,3E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]-N-octyl-1-benzothiophene-6-carboxamide Openeye Name: 2-[(1E,3E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]-N-octyl-benzothiophene-6-carboxamide CAS Name: 2-[(1E,3E)-2-methyl-4-(2,6,6-trimethyl-1-cyclohexenyl)buta-1,3-dienyl]-N-octyl-1-benzothiophene-6-carboxamide IUPAC Name: 2-[(1E,3E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]-N-octyl-1-benzothiophene-6-carboxamide Traditional Name: 2-[(1E,3E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]-N-octyl-benzothiophene-6-carboxamide Formula: C31H43NOS MolecularWeight: 477.74422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=O)C1=CC2=C(C=C1)C=C(S2)C=C(C)C=CC3=C(CCCC3(C)C)C

Isomeric SMILES

CCCCCCCCNC(=O)C1=CC2=C(C=C1)C=C(S2)/C=C(\C)/C=C/C3=C(CCCC3(C)C)C

InChI

InChI=1S/C31H43NOS/c1-6-7-8-9-10-11-19-32-30(33)26-16-15-25-21-27(34-29(25)22-26)20-23(2)14-17-28-24(3)13-12-18-31(28,4)5/h14-17,20-22H,6-13,18-19H2,1-5H3,(H,32,33)/b17-14+,23-20+