1,3-benzothiazol-2-ylmethyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-[(tert-butoxycarbonylamino)methyl]benzoate CAS Name: 4-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]benzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoate Traditional Name: 4-[(tert-butoxycarbonylamino)methyl]benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H22N2O4S/c1-21(2,3)27-20(25)22-12-14-8-10-15(11-9-14)19(24)26-13-18-23-16-6-4-5-7-17(16)28-18/h4-11H,12-13H2,1-3H3,(H,22,25)