2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(4-propan-2-yloxyphenyl)ethenyl]sulfanylethanoic acid

Systemtic Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(4-propan-2-yloxyphenyl)ethenyl]sulfanylethanoic acid Openeye Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(4-isopropoxyphenyl)vinyl]sulfanylacetic acid CAS Name: 2-[[(Z)-1-(1,3-benzothiazol-2-yl)-2-(4-propan-2-yloxyphenyl)ethenyl]thio]acetic acid IUPAC Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(4-propan-2-yloxyphenyl)ethenyl]sulfanylacetic acid Traditional Name: 2-[[(Z)-1-(1,3-benzothiazol-2-yl)-2-(4-isopropoxyphenyl)vinyl]thio]acetic acid Formula: C20H19NO3S2 MolecularWeight: 385.49976

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C=C(C2=NC3=CC=CC=C3S2)SCC(=O)O

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)/C=C(/C2=NC3=CC=CC=C3S2)\SCC(=O)O

InChI

InChI=1S/C20H19NO3S2/c1-13(2)24-15-9-7-14(8-10-15)11-18(25-12-19(22)23)20-21-16-5-3-4-6-17(16)26-20/h3-11,13H,12H2,1-2H3,(H,22,23)/b18-11-