(E)-2-(3-cyclopentylpropanoylamino)-3-[4-(2-methylsulfanylphenoxy)phenyl]prop-2-enoate

Systemtic Name: (E)-2-(3-cyclopentylpropanoylamino)-3-[4-(2-methylsulfanylphenoxy)phenyl]prop-2-enoate Openeye Name: (E)-2-(3-cyclopentylpropanoylamino)-3-[4-(2-methylsulfanylphenoxy)phenyl]prop-2-enoate CAS Name: (E)-2-[(3-cyclopentyl-1-oxopropyl)amino]-3-[4-[2-(methylthio)phenoxy]phenyl]-2-propenoate IUPAC Name: (E)-2-(3-cyclopentylpropanoylamino)-3-[4-(2-methylsulfanylphenoxy)phenyl]prop-2-enoate Traditional Name: (E)-2-(3-cyclopentylpropanoylamino)-3-[4-[2-(methylthio)phenoxy]phenyl]acrylate Formula: C24H26NO4S- MolecularWeight: 424.53254

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1OC2=CC=C(C=C2)C=C(C(=O)[O-])NC(=O)CCC3CCCC3

Isomeric SMILES

CSC1=CC=CC=C1OC2=CC=C(C=C2)/C=C(\C(=O)[O-])/NC(=O)CCC3CCCC3

InChI

InChI=1S/C24H27NO4S/c1-30-22-9-5-4-8-21(22)29-19-13-10-18(11-14-19)16-20(24(27)28)25-23(26)15-12-17-6-2-3-7-17/h4-5,8-11,13-14,16-17H,2-3,6-7,12,15H2,1H3,(H,25,26)(H,27,28)/p-1/b20-16+