methyl (2S)-4-methylsulfanyl-2-[2-(thiophen-2-ylcarbonylamino)ethanoylamino]butanoate

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[2-(thiophen-2-ylcarbonylamino)ethanoylamino]butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-[[2-(thiophene-2-carbonylamino)acetyl]amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[1-oxo-2-[[oxo(thiophen-2-yl)methyl]amino]ethyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[[2-(thiophene-2-carbonylamino)acetyl]amino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[[2-(2-thenoylamino)acetyl]amino]butyric acid methyl ester Formula: C13H18N2O4S2 MolecularWeight: 330.42302

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)CNC(=O)C1=CC=CS1

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)CNC(=O)C1=CC=CS1

InChI

InChI=1S/C13H18N2O4S2/c1-19-13(18)9(5-7-20-2)15-11(16)8-14-12(17)10-4-3-6-21-10/h3-4,6,9H,5,7-8H2,1-2H3,(H,14,17)(H,15,16)/t9-/m0/s1