8-chloranyl-N-(2,2-dimethoxyethyl)-6-methylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 8-chloranyl-N-(2,2-dimethoxyethyl)-6-methylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 8-chloro-N-(2,2-dimethoxyethyl)-6-methylene-5H-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 8-chloro-N-(2,2-dimethoxyethyl)-6-methylene-5H-benzo[b][1,4]benzothiazepine-3-carboxamide IUPAC Name: 8-chloro-N-(2,2-dimethoxyethyl)-6-methylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 8-chloro-N-(2,2-dimethoxyethyl)-6-methylene-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C19H19ClN2O3S MolecularWeight: 390.88376

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Descriptors Computed from Structure

Canonical SMILES:

COC(CNC(=O)C1=CC2=C(C=C1)SC3=C(C=C(C=C3)Cl)C(=C)N2)OC

Isomeric SMILES

COC(CNC(=O)C1=CC2=C(C=C1)SC3=C(C=C(C=C3)Cl)C(=C)N2)OC

InChI

InChI=1S/C19H19ClN2O3S/c1-11-14-9-13(20)5-7-16(14)26-17-6-4-12(8-15(17)22-11)19(23)21-10-18(24-2)25-3/h4-9,18,22H,1,10H2,2-3H3,(H,21,23)