(E)-3-[3-bromanyl-4-(2-dimethylaminoethyloxy)phenyl]-2-thiophen-2-yl-prop-2-enoic acid

Systemtic Name: (E)-3-[3-bromanyl-4-(2-dimethylaminoethyloxy)phenyl]-2-thiophen-2-yl-prop-2-enoic acid Openeye Name: (E)-3-[3-bromo-4-(2-dimethylaminoethyloxy)phenyl]-2-(2-thienyl)prop-2-enoic acid CAS Name: (E)-3-[3-bromo-4-(2-dimethylaminoethyloxy)phenyl]-2-thiophen-2-yl-2-propenoic acid IUPAC Name: (E)-3-[3-bromo-4-(2-dimethylaminoethyloxy)phenyl]-2-thiophen-2-ylprop-2-enoic acid Traditional Name: (E)-3-[3-bromo-4-(2-dimethylaminoethyloxy)phenyl]-2-(2-thienyl)acrylic acid Formula: C17H18BrNO3S MolecularWeight: 396.29872

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCOC1=C(C=C(C=C1)C=C(C2=CC=CS2)C(=O)O)Br

Isomeric SMILES

CN(C)CCOC1=C(C=C(C=C1)/C=C(/C2=CC=CS2)\C(=O)O)Br

InChI

InChI=1S/C17H18BrNO3S/c1-19(2)7-8-22-15-6-5-12(11-14(15)18)10-13(17(20)21)16-4-3-9-23-16/h3-6,9-11H,7-8H2,1-2H3,(H,20,21)/b13-10-