(E)-2-benzamido-3-[2-(2-bromophenyl)sulfanyl-1,3-thiazol-4-yl]prop-2-enoic acid

Systemtic Name: (E)-2-benzamido-3-[2-(2-bromophenyl)sulfanyl-1,3-thiazol-4-yl]prop-2-enoic acid Openeye Name: (E)-2-benzamido-3-[2-(2-bromophenyl)sulfanylthiazol-4-yl]prop-2-enoic acid CAS Name: (E)-2-benzamido-3-[2-[(2-bromophenyl)thio]-4-thiazolyl]-2-propenoic acid IUPAC Name: (E)-2-benzamido-3-[2-(2-bromophenyl)sulfanyl-1,3-thiazol-4-yl]prop-2-enoic acid Traditional Name: (E)-2-benzamido-3-[2-[(2-bromophenyl)thio]thiazol-4-yl]acrylic acid Formula: C19H13BrN2O3S2 MolecularWeight: 461.35212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(=CC2=CSC(=N2)SC3=CC=CC=C3Br)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N/C(=C/C2=CSC(=N2)SC3=CC=CC=C3Br)/C(=O)O

InChI

InChI=1S/C19H13BrN2O3S2/c20-14-8-4-5-9-16(14)27-19-21-13(11-26-19)10-15(18(24)25)22-17(23)12-6-2-1-3-7-12/h1-11H,(H,22,23)(H,24,25)/b15-10+