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

Systemtic Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(4-morpholin-4-ylphenyl)prop-2-enoic acid Openeye Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(4-morpholinophenyl)prop-2-enoic acid CAS Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-[4-(4-morpholinyl)phenyl]-2-propenoic acid IUPAC Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(4-morpholin-4-ylphenyl)prop-2-enoic acid Traditional Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-(4-morpholinophenyl)acrylic acid Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)C=C(C(=O)O)SC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)/C=C(\C(=O)O)/SC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C20H18N2O4S/c23-19(24)18(27-20-21-16-3-1-2-4-17(16)26-20)13-14-5-7-15(8-6-14)22-9-11-25-12-10-22/h1-8,13H,9-12H2,(H,23,24)/b18-13+