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

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

Systemtic Name:3-methylsulfanylbenzo[b][1]benzothiepine-9-carboxylic acid
Openeye Name:3-methylsulfanylbenzo[b][1]benzothiepine-9-carboxylic acid
CAS Name:3-(methylthio)-9-benzo[b][1]benzothiepincarboxylic acid
IUPAC Name:3-methylsulfanylbenzo[b][1]benzothiepine-9-carboxylic acid
Traditional Name:3-(methylthio)benzo[b][1]benzothiepin-9-carboxylic acid
Formula: C16H12O2S2
MolecularWeight: 300.39528
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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)SC3=C(C=CC(=C3)C(=O)O)C=C2


Isomeric SMILES

CSC1=CC2=C(C=C1)SC3=C(C=CC(=C3)C(=O)O)C=C2


InChI

InChI=1S/C16H12O2S2/c1-19-13-6-7-14-11(8-13)4-2-10-3-5-12(16(17)18)9-15(10)20-14/h2-9H,1H3,(H,17,18)


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