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

Systemtic Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(3-methoxy-2-propan-2-yloxy-phenyl)ethenyl]sulfanylethanoic acid Openeye Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(2-isopropoxy-3-methoxy-phenyl)vinyl]sulfanylacetic acid CAS Name: 2-[[(Z)-1-(1,3-benzothiazol-2-yl)-2-(3-methoxy-2-propan-2-yloxyphenyl)ethenyl]thio]acetic acid IUPAC Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(3-methoxy-2-propan-2-yloxyphenyl)ethenyl]sulfanylacetic acid Traditional Name: 2-[[(Z)-1-(1,3-benzothiazol-2-yl)-2-(2-isopropoxy-3-methoxy-phenyl)vinyl]thio]acetic acid Formula: C21H21NO4S2 MolecularWeight: 415.52574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=CC=C1OC)C=C(C2=NC3=CC=CC=C3S2)SCC(=O)O

Isomeric SMILES

CC(C)OC1=C(C=CC=C1OC)/C=C(/C2=NC3=CC=CC=C3S2)\SCC(=O)O

InChI

InChI=1S/C21H21NO4S2/c1-13(2)26-20-14(7-6-9-16(20)25-3)11-18(27-12-19(23)24)21-22-15-8-4-5-10-17(15)28-21/h4-11,13H,12H2,1-3H3,(H,23,24)/b18-11-