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

Systemtic Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(4-methoxy-3-phenylmethoxy-phenyl)ethenyl]sulfanylethanoic acid Openeye Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(3-benzyloxy-4-methoxy-phenyl)vinyl]sulfanylacetic acid CAS Name: 2-[[(Z)-1-(1,3-benzothiazol-2-yl)-2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]thio]acetic acid IUPAC Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]sulfanylacetic acid Traditional Name: 2-[[(Z)-1-(1,3-benzothiazol-2-yl)-2-(3-benzoxy-4-methoxy-phenyl)vinyl]thio]acetic acid Formula: C25H21NO4S2 MolecularWeight: 463.56854

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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)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C(/C2=NC3=CC=CC=C3S2)\SCC(=O)O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H21NO4S2/c1-29-20-12-11-18(13-21(20)30-15-17-7-3-2-4-8-17)14-23(31-16-24(27)28)25-26-19-9-5-6-10-22(19)32-25/h2-14H,15-16H2,1H3,(H,27,28)/b23-14-