methyl 5-methoxy-3-[[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]amino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-methoxy-3-[[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]amino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[[1-[(tert-butoxycarbonylamino)methyl]-2-methyl-propyl]amino]-5-methoxy-benzothiophene-2-carboxylate CAS Name: 5-methoxy-3-[[3-methyl-1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butan-2-yl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-methoxy-3-[[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-[[1-[(tert-butoxycarbonylamino)methyl]-2-methyl-propyl]amino]-5-methoxy-benzothiophene-2-carboxylic acid methyl ester Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC(=O)OC(C)(C)C)NC1=C(SC2=C1C=C(C=C2)OC)C(=O)OC

Isomeric SMILES

CC(C)C(CNC(=O)OC(C)(C)C)NC1=C(SC2=C1C=C(C=C2)OC)C(=O)OC

InChI

InChI=1S/C21H30N2O5S/c1-12(2)15(11-22-20(25)28-21(3,4)5)23-17-14-10-13(26-6)8-9-16(14)29-18(17)19(24)27-7/h8-10,12,15,23H,11H2,1-7H3,(H,22,25)