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

Systemtic Name: 4-oxidanylidene-N-(2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: 4-oxo-N-[2-pyrrolidin-1-yl-2-(2-thienyl)ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: 4-oxo-N-[2-(1-pyrrolidinyl)-2-thiophen-2-ylethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: 4-oxo-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-[2-pyrrolidino-2-(2-thienyl)ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C20H23N3O2S2 MolecularWeight: 401.54552

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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=CS4

Isomeric SMILES

C1CCN(C1)C(CNC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)C4=CC=CS4

InChI

InChI=1S/C20H23N3O2S2/c24-19-7-11-27-17-6-5-14(12-15(17)22-19)20(25)21-13-16(18-4-3-10-26-18)23-8-1-2-9-23/h3-6,10,12,16H,1-2,7-9,11,13H2,(H,21,25)(H,22,24)