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

Systemtic Name: ethyl 2-[2-(4-oxidanylidene-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoylamino]ethanoate Openeye Name: ethyl 2-[[2-(4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]amino]acetate CAS Name: 2-[[1-oxo-2-(4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl)ethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]amino]acetate Traditional Name: 2-[[2-(4-keto-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]amino]acetic acid ethyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)CN1C(=O)CC(SC2=CC=CC=C21)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CNC(=O)CN1C(=O)CC(SC2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O4S/c1-2-27-21(26)13-22-19(24)14-23-16-10-6-7-11-17(16)28-18(12-20(23)25)15-8-4-3-5-9-15/h3-11,18H,2,12-14H2,1H3,(H,22,24)