methyl (2S)-3-[(4-chlorophenyl)carbamoylsulfanyl]-2-[(3-methoxy-3-oxidanylidene-propanoyl)amino]propanoate

Systemtic Name: methyl (2S)-3-[(4-chlorophenyl)carbamoylsulfanyl]-2-[(3-methoxy-3-oxidanylidene-propanoyl)amino]propanoate Openeye Name: methyl (2S)-3-[(4-chlorophenyl)carbamoylsulfanyl]-2-[(3-methoxy-3-oxo-propanoyl)amino]propanoate CAS Name: (2S)-3-[[(4-chloroanilino)-oxomethyl]thio]-2-[(3-methoxy-1,3-dioxopropyl)amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-[(4-chlorophenyl)carbamoylsulfanyl]-2-[(3-methoxy-3-oxopropanoyl)amino]propanoate Traditional Name: (2S)-3-[(4-chlorophenyl)carbamoylthio]-2-[(3-keto-3-methoxy-propanoyl)amino]propionic acid methyl ester Formula: C15H17ClN2O6S MolecularWeight: 388.82328

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=O)NC(CSC(=O)NC1=CC=C(C=C1)Cl)C(=O)OC

Isomeric SMILES

COC(=O)CC(=O)N[C@H](CSC(=O)NC1=CC=C(C=C1)Cl)C(=O)OC

InChI

InChI=1S/C15H17ClN2O6S/c1-23-13(20)7-12(19)18-11(14(21)24-2)8-25-15(22)17-10-5-3-9(16)4-6-10/h3-6,11H,7-8H2,1-2H3,(H,17,22)(H,18,19)/t11-/m1/s1