(phenylmethyl) 2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoyloxyamino]-4-phenyl-butanoate

Systemtic Name: (phenylmethyl) 2-[2-(4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoyloxyamino]-4-phenyl-butanoate Openeye Name: benzyl 2-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]-4-phenyl-butanoate CAS Name: 2-[[1-oxo-2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)ethoxy]amino]-4-phenylbutanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[2-(4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]-4-phenylbutanoate Traditional Name: 2-[[2-(4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]oxyamino]-4-phenyl-butyric acid benzyl ester Formula: C28H28N2O5S MolecularWeight: 504.59732

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2N(C1=O)CC(=O)ONC(CCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CSC2=CC=CC=C2N(C1=O)CC(=O)ONC(CCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H28N2O5S/c31-26-17-18-36-25-14-8-7-13-24(25)30(26)19-27(32)35-29-23(16-15-21-9-3-1-4-10-21)28(33)34-20-22-11-5-2-6-12-22/h1-14,23,29H,15-20H2