7-chloranylthieno[2,3-b][1]benzothiepine-4-carboxylic acid

Systemtic Name: 7-chloranylthieno[2,3-b][1]benzothiepine-4-carboxylic acid Openeye Name: 7-chlorothieno[2,3-b][1]benzothiepine-4-carboxylic acid CAS Name: 7-chloro-4-thieno[2,3-b][1]benzothiepincarboxylic acid IUPAC Name: 7-chlorothieno[2,3-b][1]benzothiepine-4-carboxylic acid Traditional Name: 7-chlorothieno[2,3-b][1]benzothiepin-4-carboxylic acid Formula: C13H7ClO2S2 MolecularWeight: 294.77648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)C=C(C3=C(S2)SC=C3)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1Cl)C=C(C3=C(S2)SC=C3)C(=O)O

InChI

InChI=1S/C13H7ClO2S2/c14-8-1-2-11-7(5-8)6-10(12(15)16)9-3-4-17-13(9)18-11/h1-6H,(H,15,16)