methyl 5-chloranyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2-(2-phenylethanoylamino)thiophene-3-carboxylate

Systemtic Name: methyl 5-chloranyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2-(2-phenylethanoylamino)thiophene-3-carboxylate Openeye Name: methyl 4-[2-(tert-butoxycarbonylamino)ethyl]-5-chloro-2-[(2-phenylacetyl)amino]thiophene-3-carboxylate CAS Name: 5-chloro-4-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethyl]-2-[(1-oxo-2-phenylethyl)amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-chloro-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2-[(2-phenylacetyl)amino]thiophene-3-carboxylate Traditional Name: 4-[2-(tert-butoxycarbonylamino)ethyl]-5-chloro-2-[(2-phenylacetyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C21H25ClN2O5S MolecularWeight: 452.9516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCC1=C(SC(=C1C(=O)OC)NC(=O)CC2=CC=CC=C2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NCCC1=C(SC(=C1C(=O)OC)NC(=O)CC2=CC=CC=C2)Cl

InChI

InChI=1S/C21H25ClN2O5S/c1-21(2,3)29-20(27)23-11-10-14-16(19(26)28-4)18(30-17(14)22)24-15(25)12-13-8-6-5-7-9-13/h5-9H,10-12H2,1-4H3,(H,23,27)(H,24,25)