2-(9-methoxy-11-oxidanylidene-6H-benzo[c][1]benzothiepin-2-yl)ethanoic acid

Systemtic Name: 2-(9-methoxy-11-oxidanylidene-6H-benzo[c][1]benzothiepin-2-yl)ethanoic acid Openeye Name: 2-(9-methoxy-11-oxo-6H-benzo[c][1]benzothiepin-2-yl)acetic acid CAS Name: 2-(9-methoxy-11-oxo-6H-benzo[c][1]benzothiepin-2-yl)acetic acid IUPAC Name: 2-(9-methoxy-11-oxo-6H-benzo[c][1]benzothiepin-2-yl)acetic acid Traditional Name: 2-(11-keto-9-methoxy-6H-benzo[c][1]benzothiepin-2-yl)acetic acid Formula: C17H14O4S MolecularWeight: 314.35566

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CSC3=C(C2=O)C=C(C=C3)CC(=O)O)C=C1

Isomeric SMILES

COC1=CC2=C(CSC3=C(C2=O)C=C(C=C3)CC(=O)O)C=C1

InChI

InChI=1S/C17H14O4S/c1-21-12-4-3-11-9-22-15-5-2-10(7-16(18)19)6-14(15)17(20)13(11)8-12/h2-6,8H,7,9H2,1H3,(H,18,19)