2-[2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-(4-bromophenyl)-1,3-thiazol-5-yl]ethanoic acid

Systemtic Name: 2-[2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-(4-bromophenyl)-1,3-thiazol-5-yl]ethanoic acid Openeye Name: 2-[2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-4-(4-bromophenyl)thiazol-5-yl]acetic acid CAS Name: 2-[2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-(4-bromophenyl)-5-thiazolyl]acetic acid IUPAC Name: 2-[2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-(4-bromophenyl)-1,3-thiazol-5-yl]acetic acid Traditional Name: 2-[2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-4-(4-bromophenyl)thiazol-5-yl]acetic acid Formula: C20H14BrNO4S MolecularWeight: 444.29846

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=CC3=NC(=C(S3)CC(=O)O)C4=CC=C(C=C4)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C/C3=NC(=C(S3)CC(=O)O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C20H14BrNO4S/c21-14-5-3-13(4-6-14)20-17(10-19(23)24)27-18(22-20)8-2-12-1-7-15-16(9-12)26-11-25-15/h1-9H,10-11H2,(H,23,24)/b8-2+