2-(10-oxidanylidene-4H-thieno[3,2-c][1]benzoxepin-8-yl)propanoic acid

Systemtic Name: 2-(10-oxidanylidene-4H-thieno[3,2-c][1]benzoxepin-8-yl)propanoic acid Openeye Name: 2-(10-oxo-4H-thieno[3,2-c][1]benzoxepin-8-yl)propanoic acid CAS Name: 2-(10-oxo-4H-thieno[3,2-c][1]benzoxepin-8-yl)propanoic acid IUPAC Name: 2-(10-oxo-4H-thieno[3,2-c][1]benzoxepin-8-yl)propanoic acid Traditional Name: 2-(10-keto-4H-thieno[3,2-c][1]benzoxepin-8-yl)propionic acid Formula: C15H12O4S MolecularWeight: 288.31838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCC3=C(C2=O)SC=C3)C(=O)O

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCC3=C(C2=O)SC=C3)C(=O)O

InChI

InChI=1S/C15H12O4S/c1-8(15(17)18)9-2-3-12-11(6-9)13(16)14-10(7-19-12)4-5-20-14/h2-6,8H,7H2,1H3,(H,17,18)