2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(3-ethoxy-4-methoxy-phenyl)ethenyl]sulfanylethanoate

Systemtic Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(3-ethoxy-4-methoxy-phenyl)ethenyl]sulfanylethanoate Openeye Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(3-ethoxy-4-methoxy-phenyl)vinyl]sulfanylacetate CAS Name: 2-[[(Z)-1-(1,3-benzothiazol-2-yl)-2-(3-ethoxy-4-methoxyphenyl)ethenyl]thio]acetate IUPAC Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(3-ethoxy-4-methoxyphenyl)ethenyl]sulfanylacetate Traditional Name: 2-[[(Z)-1-(1,3-benzothiazol-2-yl)-2-(3-ethoxy-4-methoxy-phenyl)vinyl]thio]acetate Formula: C20H18NO4S2- MolecularWeight: 400.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C2=NC3=CC=CC=C3S2)SCC(=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(/C2=NC3=CC=CC=C3S2)\SCC(=O)[O-])OC

InChI

InChI=1S/C20H19NO4S2/c1-3-25-16-10-13(8-9-15(16)24-2)11-18(26-12-19(22)23)20-21-14-6-4-5-7-17(14)27-20/h4-11H,3,12H2,1-2H3,(H,22,23)/p-1/b18-11-