methyl 6-chloranylbenzo[b][1,4]benzothiazepine-3-carboxylate

Systemtic Name: methyl 6-chloranylbenzo[b][1,4]benzothiazepine-3-carboxylate Openeye Name: methyl 6-chlorobenzo[b][1,4]benzothiazepine-3-carboxylate CAS Name: 6-chloro-3-benzo[b][1,4]benzothiazepinecarboxylic acid methyl ester IUPAC Name: methyl 6-chlorobenzo[b][1,4]benzothiazepine-3-carboxylate Traditional Name: 6-chlorobenzo[b][1,4]benzothiazepine-3-carboxylic acid methyl ester Formula: C15H10ClNO2S MolecularWeight: 303.7634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H10ClNO2S/c1-19-15(18)9-6-7-13-11(8-9)17-14(16)10-4-2-3-5-12(10)20-13/h2-8H,1H3