2,1-benzothiazol-5-yl 3-(4-acetyloxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: 2,1-benzothiazol-5-yl 3-(4-acetyloxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: 2,1-benzothiazol-5-yl 3-(4-acetoxyphenyl)-2-(benzyloxycarbonylamino)propanoate CAS Name: 3-(4-acetyloxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid 2,1-benzothiazol-5-yl ester IUPAC Name: 2,1-benzothiazol-5-yl 3-(4-acetyloxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 3-(4-acetoxyphenyl)-2-(benzyloxycarbonylamino)propionic acid 2,1-benzothiazol-5-yl ester Formula: C26H22N2O6S MolecularWeight: 490.52768

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)CC(C(=O)OC2=CC3=CSN=C3C=C2)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)CC(C(=O)OC2=CC3=CSN=C3C=C2)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H22N2O6S/c1-17(29)33-21-9-7-18(8-10-21)13-24(27-26(31)32-15-19-5-3-2-4-6-19)25(30)34-22-11-12-23-20(14-22)16-35-28-23/h2-12,14,16,24H,13,15H2,1H3,(H,27,31)