[2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-butanoate

Systemtic Name: [2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-butanoate Openeye Name: [2-(4-methylsulfanylanilino)-2-oxo-ethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-butanoate CAS Name: (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoic acid [2-[4-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylanilino)-2-oxoethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoate Traditional Name: (2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methyl-butyric acid [2-keto-2-[4-(methylthio)anilino]ethyl] ester Formula: C21H26N2O6S2 MolecularWeight: 466.57094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NC1=CC=C(C=C1)SC)NS(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)NC1=CC=C(C=C1)SC)NS(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C21H26N2O6S2/c1-14(2)20(23-31(26,27)18-11-7-16(28-3)8-12-18)21(25)29-13-19(24)22-15-5-9-17(30-4)10-6-15/h5-12,14,20,23H,13H2,1-4H3,(H,22,24)/t20-/m0/s1