methyl 2-[2-thiophen-2-ylcarbonylsulfanylethanoyl-(2,3,6-trimethylphenyl)amino]propanoate

Systemtic Name: methyl 2-[2-thiophen-2-ylcarbonylsulfanylethanoyl-(2,3,6-trimethylphenyl)amino]propanoate Openeye Name: methyl 2-(2,3,6-trimethyl-N-[2-(thiophene-2-carbonylsulfanyl)acetyl]anilino)propanoate CAS Name: 2-(2,3,6-trimethyl-N-[1-oxo-2-[[oxo(thiophen-2-yl)methyl]thio]ethyl]anilino)propanoic acid methyl ester IUPAC Name: methyl 2-(2,3,6-trimethyl-N-[2-(thiophene-2-carbonylsulfanyl)acetyl]anilino)propanoate Traditional Name: 2-(2,3,6-trimethyl-N-[2-(2-thenoylthio)acetyl]anilino)propionic acid methyl ester Formula: C20H23NO4S2 MolecularWeight: 405.53092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)N(C(C)C(=O)OC)C(=O)CSC(=O)C2=CC=CS2)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)N(C(C)C(=O)OC)C(=O)CSC(=O)C2=CC=CS2)C

InChI

InChI=1S/C20H23NO4S2/c1-12-8-9-13(2)18(14(12)3)21(15(4)19(23)25-5)17(22)11-27-20(24)16-7-6-10-26-16/h6-10,15H,11H2,1-5H3