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

Systemtic Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(5-nitrofuran-2-yl)prop-2-enoic acid Openeye Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(5-nitro-2-furyl)prop-2-enoic acid CAS Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-(5-nitro-2-furanyl)-2-propenoic acid IUPAC Name: (E)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-(5-nitrofuran-2-yl)prop-2-enoic acid Traditional Name: (E)-2-(1,3-benzoxazol-2-ylthio)-3-(5-nitro-2-furyl)acrylic acid Formula: C14H8N2O6S MolecularWeight: 332.28812

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SC(=CC3=CC=C(O3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)S/C(=C/C3=CC=C(O3)[N+](=O)[O-])/C(=O)O

InChI

InChI=1S/C14H8N2O6S/c17-13(18)11(7-8-5-6-12(21-8)16(19)20)23-14-15-9-3-1-2-4-10(9)22-14/h1-7H,(H,17,18)/b11-7+