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

Systemtic Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(4-piperidin-1-ylphenyl)ethenyl]sulfanylethanoic acid Openeye Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-[4-(1-piperidyl)phenyl]vinyl]sulfanylacetic acid CAS Name: 2-[[(Z)-1-(1,3-benzothiazol-2-yl)-2-[4-(1-piperidinyl)phenyl]ethenyl]thio]acetic acid IUPAC Name: 2-[(Z)-1-(1,3-benzothiazol-2-yl)-2-(4-piperidin-1-ylphenyl)ethenyl]sulfanylacetic acid Traditional Name: 2-[[(Z)-1-(1,3-benzothiazol-2-yl)-2-(4-piperidinophenyl)vinyl]thio]acetic acid Formula: C22H22N2O2S2 MolecularWeight: 410.55228

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)C=C(C3=NC4=CC=CC=C4S3)SCC(=O)O

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)/C=C(/C3=NC4=CC=CC=C4S3)\SCC(=O)O

InChI

InChI=1S/C22H22N2O2S2/c25-21(26)15-27-20(22-23-18-6-2-3-7-19(18)28-22)14-16-8-10-17(11-9-16)24-12-4-1-5-13-24/h2-3,6-11,14H,1,4-5,12-13,15H2,(H,25,26)/b20-14-