N-[2-(2-chlorophenyl)-2-pyrrolidin-1-yl-ethyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-[2-(2-chlorophenyl)-2-pyrrolidin-1-yl-ethyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[2-(2-chlorophenyl)-2-pyrrolidin-1-yl-ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[2-(2-chlorophenyl)-2-(1-pyrrolidinyl)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-[2-(2-chlorophenyl)-2-pyrrolidino-ethyl]-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C22H24ClN3O2S MolecularWeight: 429.96286

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(CNC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)C4=CC=CC=C4Cl

Isomeric SMILES

C1CCN(C1)C(CNC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)C4=CC=CC=C4Cl

InChI

InChI=1S/C22H24ClN3O2S/c23-17-6-2-1-5-16(17)19(26-10-3-4-11-26)14-24-22(28)15-7-8-20-18(13-15)25-21(27)9-12-29-20/h1-2,5-8,13,19H,3-4,9-12,14H2,(H,24,28)(H,25,27)