(2S)-5-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepin-4-one

Systemtic Name: (2S)-5-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepin-4-one Openeye Name: (2S)-5-(2-oxo-2-pyrrolidin-1-yl-ethyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepin-4-one CAS Name: (2S)-5-[2-oxo-2-(1-pyrrolidinyl)ethyl]-2-phenyl-2,3-dihydro-1,5-benzothiazepin-4-one IUPAC Name: (2S)-5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepin-4-one Traditional Name: (2S)-5-(2-keto-2-pyrrolidino-ethyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepin-4-one Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CN2C(=O)CC(SC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)CN2C(=O)C[C@H](SC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C21H22N2O2S/c24-20-14-19(16-8-2-1-3-9-16)26-18-11-5-4-10-17(18)23(20)15-21(25)22-12-6-7-13-22/h1-5,8-11,19H,6-7,12-15H2/t19-/m0/s1