methyl (2S)-4-methylsulfanyl-2-[[3-(thiophen-2-ylcarbonylamino)phenyl]carbonylamino]butanoate

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[[3-(thiophen-2-ylcarbonylamino)phenyl]carbonylamino]butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-[[3-(thiophene-2-carbonylamino)benzoyl]amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[oxo-[3-[[oxo(thiophen-2-yl)methyl]amino]phenyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[[3-(thiophene-2-carbonylamino)benzoyl]amino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[[3-(2-thenoylamino)benzoyl]amino]butyric acid methyl ester Formula: C18H20N2O4S2 MolecularWeight: 392.4924

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=CS2

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=CS2

InChI

InChI=1S/C18H20N2O4S2/c1-24-18(23)14(8-10-25-2)20-16(21)12-5-3-6-13(11-12)19-17(22)15-7-4-9-26-15/h3-7,9,11,14H,8,10H2,1-2H3,(H,19,22)(H,20,21)/t14-/m0/s1