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

Systemtic Name: (2S)-2-[1,3-benzodioxol-5-yl(2-thiophen-2-ylethanoyl)amino]-N-cyclohexyl-2-(3-methoxyphenyl)ethanamide Openeye Name: (2S)-2-[1,3-benzodioxol-5-yl-[2-(2-thienyl)acetyl]amino]-N-cyclohexyl-2-(3-methoxyphenyl)acetamide CAS Name: (2S)-2-[1,3-benzodioxol-5-yl-(1-oxo-2-thiophen-2-ylethyl)amino]-N-cyclohexyl-2-(3-methoxyphenyl)acetamide IUPAC Name: (2S)-2-[1,3-benzodioxol-5-yl-(2-thiophen-2-ylacetyl)amino]-N-cyclohexyl-2-(3-methoxyphenyl)acetamide Traditional Name: (2S)-2-[1,3-benzodioxol-5-yl-[2-(2-thienyl)acetyl]amino]-N-cyclohexyl-2-(3-methoxyphenyl)acetamide Formula: C28H30N2O5S MolecularWeight: 506.6132

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(C(=O)NC2CCCCC2)N(C3=CC4=C(C=C3)OCO4)C(=O)CC5=CC=CS5

Isomeric SMILES

COC1=CC=CC(=C1)[C@@H](C(=O)NC2CCCCC2)N(C3=CC4=C(C=C3)OCO4)C(=O)CC5=CC=CS5

InChI

InChI=1S/C28H30N2O5S/c1-33-22-10-5-7-19(15-22)27(28(32)29-20-8-3-2-4-9-20)30(26(31)17-23-11-6-14-36-23)21-12-13-24-25(16-21)35-18-34-24/h5-7,10-16,20,27H,2-4,8-9,17-18H2,1H3,(H,29,32)/t27-/m0/s1