2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(3-bromanyl-4-ethoxy-5-methoxy-phenyl)ethenyl]sulfanylethanoic acid

Systemtic Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(3-bromanyl-4-ethoxy-5-methoxy-phenyl)ethenyl]sulfanylethanoic acid Openeye Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(3-bromo-4-ethoxy-5-methoxy-phenyl)vinyl]sulfanylacetic acid CAS Name: 2-[[(Z)-1-(1,3-benzothiazol-2-yl)-2-(3-bromo-4-ethoxy-5-methoxyphenyl)ethenyl]thio]acetic acid IUPAC Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(3-bromo-4-ethoxy-5-methoxyphenyl)ethenyl]sulfanylacetic acid Traditional Name: 2-[[(Z)-1-(1,3-benzothiazol-2-yl)-2-(3-bromo-4-ethoxy-5-methoxy-phenyl)vinyl]thio]acetic acid Formula: C20H18BrNO4S2 MolecularWeight: 480.39522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C=C(C2=NC3=CC=CC=C3S2)SCC(=O)O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)/C=C(/C2=NC3=CC=CC=C3S2)\SCC(=O)O)OC

InChI

InChI=1S/C20H18BrNO4S2/c1-3-26-19-13(21)8-12(9-15(19)25-2)10-17(27-11-18(23)24)20-22-14-6-4-5-7-16(14)28-20/h4-10H,3,11H2,1-2H3,(H,23,24)/b17-10-