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

Systemtic Name: (E)-2-benzamido-3-[4-(2-bromophenyl)sulfanylphenyl]prop-2-enoic acid Openeye Name: (E)-2-benzamido-3-[4-(2-bromophenyl)sulfanylphenyl]prop-2-enoic acid CAS Name: (E)-2-benzamido-3-[4-[(2-bromophenyl)thio]phenyl]-2-propenoic acid IUPAC Name: (E)-2-benzamido-3-[4-(2-bromophenyl)sulfanylphenyl]prop-2-enoic acid Traditional Name: (E)-2-benzamido-3-[4-[(2-bromophenyl)thio]phenyl]acrylic acid Formula: C22H16BrNO3S MolecularWeight: 454.33634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16BrNO3S/c23-18-8-4-5-9-20(18)28-17-12-10-15(11-13-17)14-19(22(26)27)24-21(25)16-6-2-1-3-7-16/h1-14H,(H,24,25)(H,26,27)/b19-14+