methyl 2-methyl-5-[[methyl-[2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-butanoyl]amino]methyl]furan-3-carboxylate

Systemtic Name: methyl 2-methyl-5-[[methyl-[2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-butanoyl]amino]methyl]furan-3-carboxylate Openeye Name: methyl 2-methyl-5-[[methyl-[4-methylsulfanyl-2-(p-tolylsulfonylamino)butanoyl]amino]methyl]furan-3-carboxylate CAS Name: 2-methyl-5-[[methyl-[2-[(4-methylphenyl)sulfonylamino]-4-(methylthio)-1-oxobutyl]amino]methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-[[methyl-[2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]methyl]furan-3-carboxylate Traditional Name: 2-methyl-5-[[methyl-[4-(methylthio)-2-(tosylamino)butanoyl]amino]methyl]furan-3-carboxylic acid methyl ester Formula: C21H28N2O6S2 MolecularWeight: 468.58682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)N(C)CC2=CC(=C(O2)C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)C(=O)N(C)CC2=CC(=C(O2)C)C(=O)OC

InChI

InChI=1S/C21H28N2O6S2/c1-14-6-8-17(9-7-14)31(26,27)22-19(10-11-30-5)20(24)23(3)13-16-12-18(15(2)29-16)21(25)28-4/h6-9,12,19,22H,10-11,13H2,1-5H3