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

Systemtic Name: 2,2-dimethylpropanoyloxymethyl 2-azanyl-3-[2-[(4-dimethylaminophenyl)methyl]-3-ethanoylsulfanyl-propanoyl]benzoate Openeye Name: 2,2-dimethylpropanoyloxymethyl 3-[2-(acetylsulfanylmethyl)-3-(4-dimethylaminophenyl)propanoyl]-2-amino-benzoate CAS Name: 3-[2-[(acetylthio)methyl]-3-(4-dimethylaminophenyl)-1-oxopropyl]-2-aminobenzoic acid (2,2-dimethyl-1-oxopropoxy)methyl ester IUPAC Name: 2,2-dimethylpropanoyloxymethyl 3-[2-(acetylsulfanylmethyl)-3-(4-dimethylaminophenyl)propanoyl]-2-aminobenzoate Traditional Name: 3-[2-[(acetylthio)methyl]-3-(4-dimethylaminophenyl)propanoyl]-2-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)C2=C(C(=CC=C2)C(=O)OCOC(=O)C(C)(C)C)N

Isomeric SMILES

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

InChI

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