2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)ethenyl]sulfanylethanoate

Systemtic Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)ethenyl]sulfanylethanoate Openeye Name: 2-[(Z)-2-(4-allyloxy-3-bromo-5-methoxy-phenyl)-1-(1,3-benzothiazol-2-yl)vinyl]sulfanylacetate CAS Name: 2-[[(Z)-1-(1,3-benzothiazol-2-yl)-2-(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)ethenyl]thio]acetate IUPAC Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)ethenyl]sulfanylacetate Traditional Name: 2-[[(Z)-2-(4-allyloxy-3-bromo-5-methoxy-phenyl)-1-(1,3-benzothiazol-2-yl)vinyl]thio]acetate Formula: C21H17BrNO4S2- MolecularWeight: 491.39798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C2=NC3=CC=CC=C3S2)SCC(=O)[O-])Br)OCC=C

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C(/C2=NC3=CC=CC=C3S2)\SCC(=O)[O-])Br)OCC=C

InChI

InChI=1S/C21H18BrNO4S2/c1-3-8-27-20-14(22)9-13(10-16(20)26-2)11-18(28-12-19(24)25)21-23-15-6-4-5-7-17(15)29-21/h3-7,9-11H,1,8,12H2,2H3,(H,24,25)/p-1/b18-11-