(E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(4-piperidin-1-ylphenyl)prop-2-enoic acid

Systemtic Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(4-piperidin-1-ylphenyl)prop-2-enoic acid Openeye Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-[4-(1-piperidyl)phenyl]prop-2-enoic acid CAS Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-[4-(1-piperidinyl)phenyl]-2-propenoic acid IUPAC Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(4-piperidin-1-ylphenyl)prop-2-enoic acid Traditional Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-(4-piperidinophenyl)acrylic acid Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)C=C(C(=O)O)SC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)/C=C(\C(=O)O)/SC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H20N2O3S/c24-20(25)19(27-21-22-17-6-2-3-7-18(17)26-21)14-15-8-10-16(11-9-15)23-12-4-1-5-13-23/h2-3,6-11,14H,1,4-5,12-13H2,(H,24,25)/b19-14+