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

Systemtic Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(4-pyrrolidin-1-ylphenyl)prop-2-enoic acid Openeye Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(4-pyrrolidin-1-ylphenyl)prop-2-enoic acid CAS Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-[4-(1-pyrrolidinyl)phenyl]-2-propenoic acid IUPAC Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(4-pyrrolidin-1-ylphenyl)prop-2-enoic acid Traditional Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-(4-pyrrolidinophenyl)acrylic acid Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)C=C(C(=O)O)SC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)/C=C(\C(=O)O)/SC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C20H18N2O3S/c23-19(24)18(26-20-21-16-5-1-2-6-17(16)25-20)13-14-7-9-15(10-8-14)22-11-3-4-12-22/h1-2,5-10,13H,3-4,11-12H2,(H,23,24)/b18-13+