7,8-dimethoxy-2,3-dihydro-1-benzothiepine-4-carboxylic acid

Systemtic Name: 7,8-dimethoxy-2,3-dihydro-1-benzothiepine-4-carboxylic acid Openeye Name: 7,8-dimethoxy-2,3-dihydro-1-benzothiepine-4-carboxylic acid CAS Name: 7,8-dimethoxy-2,3-dihydro-1-benzothiepin-4-carboxylic acid IUPAC Name: 7,8-dimethoxy-2,3-dihydro-1-benzothiepine-4-carboxylic acid Traditional Name: 7,8-dimethoxy-2,3-dihydro-1-benzothiepin-4-carboxylic acid Formula: C13H14O4S MolecularWeight: 266.31286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(CCS2)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(CCS2)C(=O)O)OC

InChI

InChI=1S/C13H14O4S/c1-16-10-6-9-5-8(13(14)15)3-4-18-12(9)7-11(10)17-2/h5-7H,3-4H2,1-2H3,(H,14,15)