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

Systemtic Name: methyl 6-butylbenzo[b][1,4]benzothiazepine-3-carboxylate Openeye Name: methyl 6-butylbenzo[b][1,4]benzothiazepine-3-carboxylate CAS Name: 6-butyl-3-benzo[b][1,4]benzothiazepinecarboxylic acid methyl ester IUPAC Name: methyl 6-butylbenzo[b][1,4]benzothiazepine-3-carboxylate Traditional Name: 6-butylbenzo[b][1,4]benzothiazepine-3-carboxylic acid methyl ester Formula: C19H19NO2S MolecularWeight: 325.42466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C=CC(=C2)C(=O)OC)SC3=CC=CC=C31

Isomeric SMILES

CCCCC1=NC2=C(C=CC(=C2)C(=O)OC)SC3=CC=CC=C31

InChI

InChI=1S/C19H19NO2S/c1-3-4-8-15-14-7-5-6-9-17(14)23-18-11-10-13(19(21)22-2)12-16(18)20-15/h5-7,9-12H,3-4,8H2,1-2H3