methyl (2S)-2-[(4-ethanoyl-1H-pyrrol-2-yl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[(4-ethanoyl-1H-pyrrol-2-yl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(4-acetyl-1H-pyrrol-2-yl)-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-4-(methylthio)butyric acid methyl ester Formula: C13H18N2O4S MolecularWeight: 298.35802

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CNC(=C1)C(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CC(=O)C1=CNC(=C1)C(=O)N[C@@H](CCSC)C(=O)OC

InChI

InChI=1S/C13H18N2O4S/c1-8(16)9-6-11(14-7-9)12(17)15-10(4-5-20-3)13(18)19-2/h6-7,10,14H,4-5H2,1-3H3,(H,15,17)/t10-/m0/s1