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

Systemtic Name: methyl 5-methoxy-3-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propan-2-yl]amino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[[1-benzyl-2-(tert-butoxycarbonylamino)ethyl]amino]-5-methoxy-benzothiophene-2-carboxylate CAS Name: 5-methoxy-3-[[1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropan-2-yl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-methoxy-3-[[1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropan-2-yl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-[[1-benzyl-2-(tert-butoxycarbonylamino)ethyl]amino]-5-methoxy-benzothiophene-2-carboxylic acid methyl ester Formula: C25H30N2O5S MolecularWeight: 470.5811

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC(CC1=CC=CC=C1)NC2=C(SC3=C2C=C(C=C3)OC)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NCC(CC1=CC=CC=C1)NC2=C(SC3=C2C=C(C=C3)OC)C(=O)OC

InChI

InChI=1S/C25H30N2O5S/c1-25(2,3)32-24(29)26-15-17(13-16-9-7-6-8-10-16)27-21-19-14-18(30-4)11-12-20(19)33-22(21)23(28)31-5/h6-12,14,17,27H,13,15H2,1-5H3,(H,26,29)