(E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enoic acid

Systemtic Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enoic acid Openeye Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-[5-(1-piperidyl)-2-furyl]prop-2-enoic acid CAS Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-[5-(1-piperidinyl)-2-furanyl]-2-propenoic acid IUPAC Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enoic acid Traditional Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-(5-piperidino-2-furyl)acrylic acid Formula: C19H18N2O4S MolecularWeight: 370.42222

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(O2)C=C(C(=O)O)SC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1CCN(CC1)C2=CC=C(O2)/C=C(\C(=O)O)/SC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C19H18N2O4S/c22-18(23)16(26-19-20-14-6-2-3-7-15(14)25-19)12-13-8-9-17(24-13)21-10-4-1-5-11-21/h2-3,6-9,12H,1,4-5,10-11H2,(H,22,23)/b16-12+