2,2-dimethylpropanoyloxymethyl 3-[[2-[(4-dimethylaminophenyl)methyl]-3-ethanoylsulfanyl-propanoyl]amino]benzoate

Systemtic Name: 2,2-dimethylpropanoyloxymethyl 3-[[2-[(4-dimethylaminophenyl)methyl]-3-ethanoylsulfanyl-propanoyl]amino]benzoate Openeye Name: 2,2-dimethylpropanoyloxymethyl 3-[[2-(acetylsulfanylmethyl)-3-(4-dimethylaminophenyl)propanoyl]amino]benzoate CAS Name: 3-[[2-[(acetylthio)methyl]-3-(4-dimethylaminophenyl)-1-oxopropyl]amino]benzoic acid (2,2-dimethyl-1-oxopropoxy)methyl ester IUPAC Name: 2,2-dimethylpropanoyloxymethyl 3-[[2-(acetylsulfanylmethyl)-3-(4-dimethylaminophenyl)propanoyl]amino]benzoate Traditional Name: 3-[[2-[(acetylthio)methyl]-3-(4-dimethylaminophenyl)propanoyl]amino]benzoic acid pivaloyloxymethyl ester Formula: C27H34N2O6S MolecularWeight: 514.63366

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=C(C=C1)N(C)C)C(=O)NC2=CC=CC(=C2)C(=O)OCOC(=O)C(C)(C)C

Isomeric SMILES

CC(=O)SCC(CC1=CC=C(C=C1)N(C)C)C(=O)NC2=CC=CC(=C2)C(=O)OCOC(=O)C(C)(C)C

InChI

InChI=1S/C27H34N2O6S/c1-18(30)36-16-21(14-19-10-12-23(13-11-19)29(5)6)24(31)28-22-9-7-8-20(15-22)25(32)34-17-35-26(33)27(2,3)4/h7-13,15,21H,14,16-17H2,1-6H3,(H,28,31)