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

Systemtic Name: methyl 5-chloranyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2-[2-(3-phenoxyphenyl)ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-[2-(tert-butoxycarbonylamino)ethyl]-5-chloro-2-[[2-(3-phenoxyphenyl)acetyl]amino]thiophene-3-carboxylate CAS Name: 5-chloro-4-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethyl]-2-[[1-oxo-2-(3-phenoxyphenyl)ethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-chloro-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2-[[2-(3-phenoxyphenyl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-[2-(tert-butoxycarbonylamino)ethyl]-5-chloro-2-[[2-(3-phenoxyphenyl)acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C27H29ClN2O6S MolecularWeight: 545.04696

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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)OC3=CC=CC=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NCCC1=C(SC(=C1C(=O)OC)NC(=O)CC2=CC(=CC=C2)OC3=CC=CC=C3)Cl

InChI

InChI=1S/C27H29ClN2O6S/c1-27(2,3)36-26(33)29-14-13-20-22(25(32)34-4)24(37-23(20)28)30-21(31)16-17-9-8-12-19(15-17)35-18-10-6-5-7-11-18/h5-12,15H,13-14,16H2,1-4H3,(H,29,33)(H,30,31)