(E)-4-oxidanylidene-4-phenylmethoxy-2-[5-(phenylmethoxycarbonylamino)-1,2,4-thiadiazol-3-yl]but-2-enoic acid

Systemtic Name: (E)-4-oxidanylidene-4-phenylmethoxy-2-[5-(phenylmethoxycarbonylamino)-1,2,4-thiadiazol-3-yl]but-2-enoic acid Openeye Name: (E)-4-benzyloxy-2-[5-(benzyloxycarbonylamino)-1,2,4-thiadiazol-3-yl]-4-oxo-but-2-enoic acid CAS Name: (E)-4-oxo-4-phenylmethoxy-2-[5-(phenylmethoxycarbonylamino)-1,2,4-thiadiazol-3-yl]-2-butenoic acid IUPAC Name: (E)-4-oxo-4-phenylmethoxy-2-[5-(phenylmethoxycarbonylamino)-1,2,4-thiadiazol-3-yl]but-2-enoic acid Traditional Name: (E)-4-benzoxy-2-[5-(benzyloxycarbonylamino)-1,2,4-thiadiazol-3-yl]-4-keto-but-2-enoic acid Formula: C21H17N3O6S MolecularWeight: 439.44118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N3O6S/c25-17(29-12-14-7-3-1-4-8-14)11-16(19(26)27)18-22-20(31-24-18)23-21(28)30-13-15-9-5-2-6-10-15/h1-11H,12-13H2,(H,26,27)(H,22,23,24,28)/b16-11+