ethyl (E)-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,4-thiadiazol-3-yl]but-2-enoate

Systemtic Name: ethyl (E)-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,4-thiadiazol-3-yl]but-2-enoate Openeye Name: ethyl (E)-2-[5-(tert-butoxycarbonylamino)-1,2,4-thiadiazol-3-yl]but-2-enoate CAS Name: (E)-2-[5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1,2,4-thiadiazol-3-yl]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,2,4-thiadiazol-3-yl]but-2-enoate Traditional Name: (E)-2-[5-(tert-butoxycarbonylamino)-1,2,4-thiadiazol-3-yl]but-2-enoic acid ethyl ester Formula: C13H19N3O4S MolecularWeight: 313.37266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC)C1=NSC(=N1)NC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)/C(=C/C)/C1=NSC(=N1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C13H19N3O4S/c1-6-8(10(17)19-7-2)9-14-11(21-16-9)15-12(18)20-13(3,4)5/h6H,7H2,1-5H3,(H,14,15,16,18)/b8-6+