3-methylsulfinylbenzo[b][1]benzothiepine-9-carboxylic acid

Systemtic Name: 3-methylsulfinylbenzo[b][1]benzothiepine-9-carboxylic acid Openeye Name: 3-methylsulfinylbenzo[b][1]benzothiepine-9-carboxylic acid CAS Name: 3-methylsulfinyl-9-benzo[b][1]benzothiepincarboxylic acid IUPAC Name: 3-methylsulfinylbenzo[b][1]benzothiepine-9-carboxylic acid Traditional Name: 3-methylsulfinylbenzo[b][1]benzothiepin-9-carboxylic acid Formula: C16H12O3S2 MolecularWeight: 316.39468

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)C1=CC2=C(C=C1)SC3=C(C=CC(=C3)C(=O)O)C=C2

Isomeric SMILES

CS(=O)C1=CC2=C(C=C1)SC3=C(C=CC(=C3)C(=O)O)C=C2

InChI

InChI=1S/C16H12O3S2/c1-21(19)13-6-7-14-11(8-13)4-2-10-3-5-12(16(17)18)9-15(10)20-14/h2-9H,1H3,(H,17,18)