(2S)-2-[1,3-benzodioxol-5-yl(2-thiophen-2-ylethanoyl)amino]-N-cyclohexyl-2-(4-ethoxyphenyl)ethanamide

Systemtic Name: (2S)-2-[1,3-benzodioxol-5-yl(2-thiophen-2-ylethanoyl)amino]-N-cyclohexyl-2-(4-ethoxyphenyl)ethanamide Openeye Name: (2S)-2-[1,3-benzodioxol-5-yl-[2-(2-thienyl)acetyl]amino]-N-cyclohexyl-2-(4-ethoxyphenyl)acetamide CAS Name: (2S)-2-[1,3-benzodioxol-5-yl-(1-oxo-2-thiophen-2-ylethyl)amino]-N-cyclohexyl-2-(4-ethoxyphenyl)acetamide IUPAC Name: (2S)-2-[1,3-benzodioxol-5-yl-(2-thiophen-2-ylacetyl)amino]-N-cyclohexyl-2-(4-ethoxyphenyl)acetamide Traditional Name: (2S)-2-[1,3-benzodioxol-5-yl-[2-(2-thienyl)acetyl]amino]-N-cyclohexyl-2-p-phenetyl-acetamide Formula: C29H32N2O5S MolecularWeight: 520.63978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C(=O)NC2CCCCC2)N(C3=CC4=C(C=C3)OCO4)C(=O)CC5=CC=CS5

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@@H](C(=O)NC2CCCCC2)N(C3=CC4=C(C=C3)OCO4)C(=O)CC5=CC=CS5

InChI

InChI=1S/C29H32N2O5S/c1-2-34-23-13-10-20(11-14-23)28(29(33)30-21-7-4-3-5-8-21)31(27(32)18-24-9-6-16-37-24)22-12-15-25-26(17-22)36-19-35-25/h6,9-17,21,28H,2-5,7-8,18-19H2,1H3,(H,30,33)/t28-/m0/s1