2-acetyloxy-2-(10-oxidanylidene-4H-thieno[3,2-c][1]benzoxepin-7-yl)propanoic acid

Systemtic Name: 2-acetyloxy-2-(10-oxidanylidene-4H-thieno[3,2-c][1]benzoxepin-7-yl)propanoic acid Openeye Name: 2-acetoxy-2-(10-oxo-4H-thieno[3,2-c][1]benzoxepin-7-yl)propanoic acid CAS Name: 2-acetyloxy-2-(10-oxo-4H-thieno[3,2-c][1]benzoxepin-7-yl)propanoic acid IUPAC Name: 2-acetyloxy-2-(10-oxo-4H-thieno[3,2-c][1]benzoxepin-7-yl)propanoic acid Traditional Name: 2-acetoxy-2-(10-keto-4H-thieno[3,2-c][1]benzoxepin-7-yl)propionic acid Formula: C17H14O6S MolecularWeight: 346.35446

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C)(C1=CC2=C(C=C1)C(=O)C3=C(CO2)C=CS3)C(=O)O

Isomeric SMILES

CC(=O)OC(C)(C1=CC2=C(C=C1)C(=O)C3=C(CO2)C=CS3)C(=O)O

InChI

InChI=1S/C17H14O6S/c1-9(18)23-17(2,16(20)21)11-3-4-12-13(7-11)22-8-10-5-6-24-15(10)14(12)19/h3-7H,8H2,1-2H3,(H,20,21)