phenylmethoxycarbonylamino 3-(4-oxidanylidene-1,5-benzothiazepin-5-yl)propanoate

Systemtic Name: phenylmethoxycarbonylamino 3-(4-oxidanylidene-1,5-benzothiazepin-5-yl)propanoate Openeye Name: benzyloxycarbonylamino 3-(4-oxo-1,5-benzothiazepin-5-yl)propanoate CAS Name: 3-(4-oxo-1,5-benzothiazepin-5-yl)propanoic acid phenylmethoxycarbonylamino ester IUPAC Name: phenylmethoxycarbonylamino 3-(4-oxo-1,5-benzothiazepin-5-yl)propanoate Traditional Name: 3-(4-keto-1,5-benzothiazepin-5-yl)propionic acid benzyloxycarbonylamino ester Formula: C20H18N2O5S MolecularWeight: 398.43232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NOC(=O)CCN2C(=O)C=CSC3=CC=CC=C32

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NOC(=O)CCN2C(=O)C=CSC3=CC=CC=C32

InChI

InChI=1S/C20H18N2O5S/c23-18-11-13-28-17-9-5-4-8-16(17)22(18)12-10-19(24)27-21-20(25)26-14-15-6-2-1-3-7-15/h1-9,11,13H,10,12,14H2,(H,21,25)