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

Systemtic Name: (E)-2-benzamido-3-[5-(2-bromophenyl)sulfanylthiophen-2-yl]prop-2-enoic acid Openeye Name: (E)-2-benzamido-3-[5-(2-bromophenyl)sulfanyl-2-thienyl]prop-2-enoic acid CAS Name: (E)-2-benzamido-3-[5-[(2-bromophenyl)thio]-2-thiophenyl]-2-propenoic acid IUPAC Name: (E)-2-benzamido-3-[5-(2-bromophenyl)sulfanylthiophen-2-yl]prop-2-enoic acid Traditional Name: (E)-2-benzamido-3-[5-[(2-bromophenyl)thio]-2-thienyl]acrylic acid Formula: C20H14BrNO3S2 MolecularWeight: 460.36406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14BrNO3S2/c21-15-8-4-5-9-17(15)27-18-11-10-14(26-18)12-16(20(24)25)22-19(23)13-6-2-1-3-7-13/h1-12H,(H,22,23)(H,24,25)/b16-12+