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

Systemtic Name: 2-[(E)-1-(1,3-benzothiazol-2-yl)-2-(4-methoxy-3-oxidanyl-phenyl)ethenyl]sulfanylethanoic acid Openeye Name: 2-[(E)-1-(1,3-benzothiazol-2-yl)-2-(3-hydroxy-4-methoxy-phenyl)vinyl]sulfanylacetic acid CAS Name: 2-[[(E)-1-(1,3-benzothiazol-2-yl)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]thio]acetic acid IUPAC Name: 2-[(E)-1-(1,3-benzothiazol-2-yl)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]sulfanylacetic acid Traditional Name: 2-[[(E)-1-(1,3-benzothiazol-2-yl)-2-(3-hydroxy-4-methoxy-phenyl)vinyl]thio]acetic acid Formula: C18H15NO4S2 MolecularWeight: 373.446

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C(C2=NC3=CC=CC=C3S2)SCC(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C(\C2=NC3=CC=CC=C3S2)/SCC(=O)O)O

InChI

InChI=1S/C18H15NO4S2/c1-23-14-7-6-11(8-13(14)20)9-16(24-10-17(21)22)18-19-12-4-2-3-5-15(12)25-18/h2-9,20H,10H2,1H3,(H,21,22)/b16-9+