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

Systemtic Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(4-ethoxy-3-methoxy-phenyl)ethenyl]sulfanylethanoic acid Openeye Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(4-ethoxy-3-methoxy-phenyl)vinyl]sulfanylacetic acid CAS Name: 2-[[(Z)-1-(1,3-benzothiazol-2-yl)-2-(4-ethoxy-3-methoxyphenyl)ethenyl]thio]acetic acid IUPAC Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(4-ethoxy-3-methoxyphenyl)ethenyl]sulfanylacetic acid Traditional Name: 2-[[(Z)-1-(1,3-benzothiazol-2-yl)-2-(4-ethoxy-3-methoxy-phenyl)vinyl]thio]acetic acid Formula: C20H19NO4S2 MolecularWeight: 401.49916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19NO4S2/c1-3-25-15-9-8-13(10-16(15)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)/b18-11-