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

Systemtic Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(4-pentoxyphenyl)ethenyl]sulfanylethanoic acid Openeye Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(4-pentoxyphenyl)vinyl]sulfanylacetic acid CAS Name: 2-[[(Z)-1-(1,3-benzothiazol-2-yl)-2-(4-pentoxyphenyl)ethenyl]thio]acetic acid IUPAC Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(4-pentoxyphenyl)ethenyl]sulfanylacetic acid Traditional Name: 2-[[(Z)-2-(4-amoxyphenyl)-1-(1,3-benzothiazol-2-yl)vinyl]thio]acetic acid Formula: C22H23NO3S2 MolecularWeight: 413.55292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C=C(C2=NC3=CC=CC=C3S2)SCC(=O)O

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)/C=C(/C2=NC3=CC=CC=C3S2)\SCC(=O)O

InChI

InChI=1S/C22H23NO3S2/c1-2-3-6-13-26-17-11-9-16(10-12-17)14-20(27-15-21(24)25)22-23-18-7-4-5-8-19(18)28-22/h4-5,7-12,14H,2-3,6,13,15H2,1H3,(H,24,25)/b20-14-