(2R)-1-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxidanylidene-ethyl]pyrrolidine-2-carboxamide

Systemtic Name: (2R)-1-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxidanylidene-ethyl]pyrrolidine-2-carboxamide Openeye Name: (2R)-1-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxo-ethyl]pyrrolidine-2-carboxamide CAS Name: (2R)-1-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxoethyl]-2-pyrrolidinecarboxamide IUPAC Name: (2R)-1-[2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-oxoethyl]pyrrolidine-2-carboxamide Traditional Name: (2R)-1-[2-keto-2-[(2S)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethyl]pyrrolidine-2-carboxamide Formula: C17H23N3O2S MolecularWeight: 333.44842

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CN3CCCC3C(=O)N

Isomeric SMILES

C[C@H]1CCN(C2=CC=CC=C2S1)C(=O)CN3CCC[C@@H]3C(=O)N

InChI

InChI=1S/C17H23N3O2S/c1-12-8-10-20(13-5-2-3-7-15(13)23-12)16(21)11-19-9-4-6-14(19)17(18)22/h2-3,5,7,12,14H,4,6,8-11H2,1H3,(H2,18,22)/t12-,14+/m0/s1