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

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidino-ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)N4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)N4CCCC4

InChI

InChI=1S/C23H27N3O3S/c1-29-18-7-4-16(5-8-18)20(26-11-2-3-12-26)15-24-23(28)17-6-9-21-19(14-17)25-22(27)10-13-30-21/h4-9,14,20H,2-3,10-13,15H2,1H3,(H,24,28)(H,25,27)/t20-/m0/s1