methyl 6-sulfanylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxylate

Systemtic Name: methyl 6-sulfanylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxylate Openeye Name: methyl 6-thioxo-5H-benzo[b][1,4]benzothiazepine-3-carboxylate CAS Name: 6-sulfanylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 6-sulfanylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxylate Traditional Name: 6-thioxo-5H-benzo[b][1,4]benzothiazepine-3-carboxylic acid methyl ester Formula: C15H11NO2S2 MolecularWeight: 301.38334

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=S)N2

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=S)N2

InChI

InChI=1S/C15H11NO2S2/c1-18-15(17)9-6-7-13-11(8-9)16-14(19)10-4-2-3-5-12(10)20-13/h2-8H,1H3,(H,16,19)