[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-benzamido-4-methylsulfanyl-butanoate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] 2-benzamido-4-methylsulfanyl-butanoate CAS Name: 2-benzamido-4-(methylthio)butanoic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate Traditional Name: 2-benzamido-4-(methylthio)butyric acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C21H24N2O4S2 MolecularWeight: 432.55626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4S2/c1-28-12-11-18(23-20(25)15-7-4-3-5-8-15)21(26)27-14-19(24)22-16-9-6-10-17(13-16)29-2/h3-10,13,18H,11-12,14H2,1-2H3,(H,22,24)(H,23,25)