[3-(4-methoxyphenyl)sulfanylpropanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] 3,3-dimethylbutanoate

Systemtic Name: [3-(4-methoxyphenyl)sulfanylpropanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] 3,3-dimethylbutanoate Openeye Name: [tert-butoxycarbonyl-[3-(4-methoxyphenyl)sulfanylpropanoyl]amino] 3,3-dimethylbutanoate CAS Name: 3,3-dimethylbutanoic acid [[3-[(4-methoxyphenyl)thio]-1-oxopropyl]-[(2-methylpropan-2-yl)oxy-oxomethyl]amino] ester IUPAC Name: [3-(4-methoxyphenyl)sulfanylpropanoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric acid [tert-butoxycarbonyl-[3-[(4-methoxyphenyl)thio]propanoyl]amino] ester Formula: C21H31NO6S MolecularWeight: 425.53894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)ON(C(=O)CCSC1=CC=C(C=C1)OC)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)CC(=O)ON(C(=O)CCSC1=CC=C(C=C1)OC)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H31NO6S/c1-20(2,3)14-18(24)28-22(19(25)27-21(4,5)6)17(23)12-13-29-16-10-8-15(26-7)9-11-16/h8-11H,12-14H2,1-7H3