methyl 6-chloranylbenzo[b][1,4]benzothiazepine-2-carboxylate

Systemtic Name: methyl 6-chloranylbenzo[b][1,4]benzothiazepine-2-carboxylate Openeye Name: methyl 6-chlorobenzo[b][1,4]benzothiazepine-2-carboxylate CAS Name: 6-chloro-2-benzo[b][1,4]benzothiazepinecarboxylic acid methyl ester IUPAC Name: methyl 6-chlorobenzo[b][1,4]benzothiazepine-2-carboxylate Traditional Name: 6-chlorobenzo[b][1,4]benzothiazepine-2-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)N=C(C3=CC=CC=C3S2)Cl

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=C(C3=CC=CC=C3S2)Cl

InChI

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