1-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-benzothiazol-2-yl]but-3-enyl hydrogen carbonate

Systemtic Name: 1-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-benzothiazol-2-yl]but-3-enyl hydrogen carbonate Openeye Name: 1-[5-(tert-butoxycarbonylamino)-1,3-benzothiazol-2-yl]but-3-enyl hydrogen carbonate CAS Name: carbonic acid 1-[5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1,3-benzothiazol-2-yl]but-3-enyl ester IUPAC Name: 1-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-benzothiazol-2-yl]but-3-enyl hydrogen carbonate Traditional Name: carbonic acid 1-[5-(tert-butoxycarbonylamino)-1,3-benzothiazol-2-yl]but-3-enyl ester Formula: C17H20N2O5S MolecularWeight: 364.4161

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC2=C(C=C1)SC(=N2)C(CC=C)OC(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC2=C(C=C1)SC(=N2)C(CC=C)OC(=O)O

InChI

InChI=1S/C17H20N2O5S/c1-5-6-12(23-16(21)22)14-19-11-9-10(7-8-13(11)25-14)18-15(20)24-17(2,3)4/h5,7-9,12H,1,6H2,2-4H3,(H,18,20)(H,21,22)