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

Systemtic Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(4-butoxyphenyl)ethenyl]sulfanylethanoic acid Openeye Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(4-butoxyphenyl)vinyl]sulfanylacetic acid CAS Name: 2-[[(Z)-1-(1,3-benzothiazol-2-yl)-2-(4-butoxyphenyl)ethenyl]thio]acetic acid IUPAC Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(4-butoxyphenyl)ethenyl]sulfanylacetic acid Traditional Name: 2-[[(Z)-1-(1,3-benzothiazol-2-yl)-2-(4-butoxyphenyl)vinyl]thio]acetic acid Formula: C21H21NO3S2 MolecularWeight: 399.52634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=C(C2=NC3=CC=CC=C3S2)SCC(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C(/C2=NC3=CC=CC=C3S2)\SCC(=O)O

InChI

InChI=1S/C21H21NO3S2/c1-2-3-12-25-16-10-8-15(9-11-16)13-19(26-14-20(23)24)21-22-17-6-4-5-7-18(17)27-21/h4-11,13H,2-3,12,14H2,1H3,(H,23,24)/b19-13-