(E)-2-(1-benzothiophen-2-ylcarbonylamino)-3-[4-(2-bromanylphenoxy)phenyl]prop-2-enoic acid

Systemtic Name: (E)-2-(1-benzothiophen-2-ylcarbonylamino)-3-[4-(2-bromanylphenoxy)phenyl]prop-2-enoic acid Openeye Name: (E)-2-(benzothiophene-2-carbonylamino)-3-[4-(2-bromophenoxy)phenyl]prop-2-enoic acid CAS Name: (E)-2-[[1-benzothiophen-2-yl(oxo)methyl]amino]-3-[4-(2-bromophenoxy)phenyl]-2-propenoic acid IUPAC Name: (E)-2-(1-benzothiophene-2-carbonylamino)-3-[4-(2-bromophenoxy)phenyl]prop-2-enoic acid Traditional Name: (E)-2-(benzothiophene-2-carbonylamino)-3-[4-(2-bromophenoxy)phenyl]acrylic acid Formula: C24H16BrNO4S MolecularWeight: 494.35714

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(S2)C(=O)NC(=CC3=CC=C(C=C3)OC4=CC=CC=C4Br)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(S2)C(=O)N/C(=C/C3=CC=C(C=C3)OC4=CC=CC=C4Br)/C(=O)O

InChI

InChI=1S/C24H16BrNO4S/c25-18-6-2-3-7-20(18)30-17-11-9-15(10-12-17)13-19(24(28)29)26-23(27)22-14-16-5-1-4-8-21(16)31-22/h1-14H,(H,26,27)(H,28,29)/b19-13+