ethyl 4-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Systemtic Name: ethyl 4-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Openeye Name: ethyl 4-[4-(3-benzyloxyphenyl)sulfanyl-2-chloro-phenyl]-2-(tert-butoxycarbonylamino)-2-methyl-butanoate CAS Name: 4-[2-chloro-4-[(3-phenylmethoxyphenyl)thio]phenyl]-2-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate Traditional Name: 4-[4-[(3-benzoxyphenyl)thio]-2-chloro-phenyl]-2-(tert-butoxycarbonylamino)-2-methyl-butyric acid ethyl ester Formula: C31H36ClNO5S MolecularWeight: 570.13924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(CCC1=C(C=C(C=C1)SC2=CC=CC(=C2)OCC3=CC=CC=C3)Cl)NC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C(C)(CCC1=C(C=C(C=C1)SC2=CC=CC(=C2)OCC3=CC=CC=C3)Cl)NC(=O)OC(C)(C)C

InChI

InChI=1S/C31H36ClNO5S/c1-6-36-28(34)31(5,33-29(35)38-30(2,3)4)18-17-23-15-16-26(20-27(23)32)39-25-14-10-13-24(19-25)37-21-22-11-8-7-9-12-22/h7-16,19-20H,6,17-18,21H2,1-5H3,(H,33,35)