[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-[(4-oxidanylidene-4-thiophen-2-yl-butanoyl)amino]propanoate

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-[(4-oxidanylidene-4-thiophen-2-yl-butanoyl)amino]propanoate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] 3-[[4-oxo-4-(2-thienyl)butanoyl]amino]propanoate CAS Name: 3-[(1,4-dioxo-4-thiophen-2-ylbutyl)amino]propanoic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 3-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]propanoate Traditional Name: 3-[[4-keto-4-(2-thienyl)butanoyl]amino]propionic acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C20H22N2O5S2 MolecularWeight: 434.52908

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)COC(=O)CCNC(=O)CCC(=O)C2=CC=CS2

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)COC(=O)CCNC(=O)CCC(=O)C2=CC=CS2

InChI

InChI=1S/C20H22N2O5S2/c1-28-15-5-2-4-14(12-15)22-19(25)13-27-20(26)9-10-21-18(24)8-7-16(23)17-6-3-11-29-17/h2-6,11-12H,7-10,13H2,1H3,(H,21,24)(H,22,25)