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

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-methoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] 2-[(4-methoxybenzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(4-methoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]-3-methylbutanoate Traditional Name: 3-methyl-2-(p-anisoylamino)butyric acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5S/c1-14(2)20(24-21(26)15-8-10-17(28-3)11-9-15)22(27)29-13-19(25)23-16-6-5-7-18(12-16)30-4/h5-12,14,20H,13H2,1-4H3,(H,23,25)(H,24,26)