(E)-3-[5-(2-bromophenyl)sulfanylthiophen-2-yl]-2-(3-cyclopentylpropanoylamino)prop-2-enoic acid

Systemtic Name: (E)-3-[5-(2-bromophenyl)sulfanylthiophen-2-yl]-2-(3-cyclopentylpropanoylamino)prop-2-enoic acid Openeye Name: (E)-3-[5-(2-bromophenyl)sulfanyl-2-thienyl]-2-(3-cyclopentylpropanoylamino)prop-2-enoic acid CAS Name: (E)-3-[5-[(2-bromophenyl)thio]-2-thiophenyl]-2-[(3-cyclopentyl-1-oxopropyl)amino]-2-propenoic acid IUPAC Name: (E)-3-[5-(2-bromophenyl)sulfanylthiophen-2-yl]-2-(3-cyclopentylpropanoylamino)prop-2-enoic acid Traditional Name: (E)-3-[5-[(2-bromophenyl)thio]-2-thienyl]-2-(3-cyclopentylpropanoylamino)acrylic acid Formula: C21H22BrNO3S2 MolecularWeight: 480.43828

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCC(=O)NC(=CC2=CC=C(S2)SC3=CC=CC=C3Br)C(=O)O

Isomeric SMILES

C1CCC(C1)CCC(=O)N/C(=C/C2=CC=C(S2)SC3=CC=CC=C3Br)/C(=O)O

InChI

InChI=1S/C21H22BrNO3S2/c22-16-7-3-4-8-18(16)28-20-12-10-15(27-20)13-17(21(25)26)23-19(24)11-9-14-5-1-2-6-14/h3-4,7-8,10,12-14H,1-2,5-6,9,11H2,(H,23,24)(H,25,26)/b17-13+