(E)-3-[4-(2-bromophenyl)sulfanylphenyl]-2-(3-cyclopentylpropanoylamino)prop-2-enoic acid

Systemtic Name: (E)-3-[4-(2-bromophenyl)sulfanylphenyl]-2-(3-cyclopentylpropanoylamino)prop-2-enoic acid Openeye Name: (E)-3-[4-(2-bromophenyl)sulfanylphenyl]-2-(3-cyclopentylpropanoylamino)prop-2-enoic acid CAS Name: (E)-3-[4-[(2-bromophenyl)thio]phenyl]-2-[(3-cyclopentyl-1-oxopropyl)amino]-2-propenoic acid IUPAC Name: (E)-3-[4-(2-bromophenyl)sulfanylphenyl]-2-(3-cyclopentylpropanoylamino)prop-2-enoic acid Traditional Name: (E)-3-[4-[(2-bromophenyl)thio]phenyl]-2-(3-cyclopentylpropanoylamino)acrylic acid Formula: C23H24BrNO3S MolecularWeight: 474.41056

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCC(=O)NC(=CC2=CC=C(C=C2)SC3=CC=CC=C3Br)C(=O)O

Isomeric SMILES

C1CCC(C1)CCC(=O)N/C(=C/C2=CC=C(C=C2)SC3=CC=CC=C3Br)/C(=O)O

InChI

InChI=1S/C23H24BrNO3S/c24-19-7-3-4-8-21(19)29-18-12-9-17(10-13-18)15-20(23(27)28)25-22(26)14-11-16-5-1-2-6-16/h3-4,7-10,12-13,15-16H,1-2,5-6,11,14H2,(H,25,26)(H,27,28)/b20-15+