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

Systemtic Name: 3-methanethioyloxybenzo[b][1]benzothiepine-9-carboxylic acid Openeye Name: 3-methanethioyloxybenzo[b][1]benzothiepine-9-carboxylic acid CAS Name: 3-methanethioyloxy-9-benzo[b][1]benzothiepincarboxylic acid IUPAC Name: 3-methanethioyloxybenzo[b][1]benzothiepine-9-carboxylic acid Traditional Name: 3-thioformyloxybenzo[b][1]benzothiepin-9-carboxylic acid Formula: C16H10O3S2 MolecularWeight: 314.3788

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C1C=CC3=C(S2)C=CC(=C3)OC=S)C(=O)O

Isomeric SMILES

C1=CC(=CC2=C1C=CC3=C(S2)C=CC(=C3)OC=S)C(=O)O

InChI

InChI=1S/C16H10O3S2/c17-16(18)12-4-2-10-1-3-11-7-13(19-9-20)5-6-14(11)21-15(10)8-12/h1-9H,(H,17,18)