azanyl 2-[3-oxidanylidene-4-phenethyl-2-(phenylcarbonyl)-5H-1,4-benzothiazepin-2-yl]ethanoate

Systemtic Name: azanyl 2-[3-oxidanylidene-4-phenethyl-2-(phenylcarbonyl)-5H-1,4-benzothiazepin-2-yl]ethanoate Openeye Name: amino 2-(2-benzoyl-3-oxo-4-phenethyl-5H-1,4-benzothiazepin-2-yl)acetate CAS Name: 2-(2-benzoyl-3-oxo-4-phenethyl-5H-1,4-benzothiazepin-2-yl)acetic acid amino ester IUPAC Name: amino 2-(2-benzoyl-3-oxo-4-phenethyl-5H-1,4-benzothiazepin-2-yl)acetate Traditional Name: 2-(2-benzoyl-3-keto-4-phenethyl-5H-1,4-benzothiazepin-2-yl)acetic acid amino ester Formula: C26H24N2O4S MolecularWeight: 460.54476

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2SC(C(=O)N1CCC3=CC=CC=C3)(CC(=O)ON)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1C2=CC=CC=C2SC(C(=O)N1CCC3=CC=CC=C3)(CC(=O)ON)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H24N2O4S/c27-32-23(29)17-26(24(30)20-11-5-2-6-12-20)25(31)28(16-15-19-9-3-1-4-10-19)18-21-13-7-8-14-22(21)33-26/h1-14H,15-18,27H2