2-(11-oxidanylidene-6H-benzo[c][1]benzothiepin-3-yl)propanethioic S-acid

Systemtic Name: 2-(11-oxidanylidene-6H-benzo[c][1]benzothiepin-3-yl)propanethioic S-acid Openeye Name: 2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)propanethioic S-acid CAS Name: 2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)propanethioic S-acid IUPAC Name: 2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)propanethioic S-acid Traditional Name: 2-(11-keto-6H-benzo[c][1]benzothiepin-3-yl)thiopropionic acid Formula: C17H14O2S2 MolecularWeight: 314.42186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3CS2)C(=O)S

Isomeric SMILES

CC(C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3CS2)C(=O)S

InChI

InChI=1S/C17H14O2S2/c1-10(17(19)20)11-6-7-14-15(8-11)21-9-12-4-2-3-5-13(12)16(14)18/h2-8,10H,9H2,1H3,(H,19,20)