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

Systemtic Name: 8-chloranyl-6-ethylidene-N-[(2-methoxyphenyl)methyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 8-chloro-6-ethylidene-N-[(2-methoxyphenyl)methyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 8-chloro-6-ethylidene-N-[(2-methoxyphenyl)methyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide IUPAC Name: 8-chloro-6-ethylidene-N-[(2-methoxyphenyl)methyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 8-chloro-6-ethylidene-N-o-anisyl-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C24H21ClN2O2S MolecularWeight: 436.95374

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Descriptors Computed from Structure

Canonical SMILES:

CC=C1C2=C(C=CC(=C2)Cl)SC3=C(N1)C=C(C=C3)C(=O)NCC4=CC=CC=C4OC

Isomeric SMILES

CC=C1C2=C(C=CC(=C2)Cl)SC3=C(N1)C=C(C=C3)C(=O)NCC4=CC=CC=C4OC

InChI

InChI=1S/C24H21ClN2O2S/c1-3-19-18-13-17(25)9-11-22(18)30-23-10-8-15(12-20(23)27-19)24(28)26-14-16-6-4-5-7-21(16)29-2/h3-13,27H,14H2,1-2H3,(H,26,28)