(E)-4-oxidanylidene-4-phenylmethoxy-2-[2-(phenylmethoxycarbonylamino)-1,3-thiazol-4-yl]but-2-enoic acid

Systemtic Name: (E)-4-oxidanylidene-4-phenylmethoxy-2-[2-(phenylmethoxycarbonylamino)-1,3-thiazol-4-yl]but-2-enoic acid Openeye Name: (E)-4-benzyloxy-2-[2-(benzyloxycarbonylamino)thiazol-4-yl]-4-oxo-but-2-enoic acid CAS Name: (E)-4-oxo-4-phenylmethoxy-2-[2-(phenylmethoxycarbonylamino)-4-thiazolyl]-2-butenoic acid IUPAC Name: (E)-4-oxo-4-phenylmethoxy-2-[2-(phenylmethoxycarbonylamino)-1,3-thiazol-4-yl]but-2-enoic acid Traditional Name: (E)-4-benzoxy-2-[2-(benzyloxycarbonylamino)thiazol-4-yl]-4-keto-but-2-enoic acid Formula: C22H18N2O6S MolecularWeight: 438.45312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C=C(C2=CSC(=N2)NC(=O)OCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)/C=C(\C2=CSC(=N2)NC(=O)OCC3=CC=CC=C3)/C(=O)O

InChI

InChI=1S/C22H18N2O6S/c25-19(29-12-15-7-3-1-4-8-15)11-17(20(26)27)18-14-31-21(23-18)24-22(28)30-13-16-9-5-2-6-10-16/h1-11,14H,12-13H2,(H,26,27)(H,23,24,28)/b17-11+