ethyl 4-[2-(4-oxidanylidene-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-(4-oxidanylidene-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-(4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl)ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(4-keto-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]amino]benzoic acid ethyl ester Formula: C26H24N2O4S MolecularWeight: 460.54476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)CC(SC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)CC(SC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C26H24N2O4S/c1-2-32-26(31)19-12-14-20(15-13-19)27-24(29)17-28-21-10-6-7-11-22(21)33-23(16-25(28)30)18-8-4-3-5-9-18/h3-15,23H,2,16-17H2,1H3,(H,27,29)