(E)-N-[4-[2,4-bis(2-methylbutan-2-yloxy)phenyl]butyl]-3-thiophen-2-yl-prop-2-enamide

Systemtic Name: (E)-N-[4-[2,4-bis(2-methylbutan-2-yloxy)phenyl]butyl]-3-thiophen-2-yl-prop-2-enamide Openeye Name: (E)-N-[4-[2,4-bis(1,1-dimethylpropoxy)phenyl]butyl]-3-(2-thienyl)prop-2-enamide CAS Name: (E)-N-[4-[2,4-bis(2-methylbutan-2-yloxy)phenyl]butyl]-3-thiophen-2-yl-2-propenamide IUPAC Name: (E)-N-[4-[2,4-bis(2-methylbutan-2-yloxy)phenyl]butyl]-3-thiophen-2-ylprop-2-enamide Traditional Name: (E)-N-[4-(2,4-ditert-amyloxyphenyl)butyl]-3-(2-thienyl)acrylamide Formula: C27H39NO3S MolecularWeight: 457.66846

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)OC1=CC(=C(C=C1)CCCCNC(=O)C=CC2=CC=CS2)OC(C)(C)CC

Isomeric SMILES

CCC(C)(C)OC1=CC(=C(C=C1)CCCCNC(=O)/C=C/C2=CC=CS2)OC(C)(C)CC

InChI

InChI=1S/C27H39NO3S/c1-7-26(3,4)30-22-15-14-21(24(20-22)31-27(5,6)8-2)12-9-10-18-28-25(29)17-16-23-13-11-19-32-23/h11,13-17,19-20H,7-10,12,18H2,1-6H3,(H,28,29)/b17-16+