2-[(1-ethylpyrrol-2-yl)carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[(1-ethylpyrrol-2-yl)carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(1-ethylpyrrole-2-carbonyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[(1-ethyl-2-pyrrolyl)-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(1-ethylpyrrole-2-carbonyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(1-ethylpyrrole-2-carbonyl)amino]-4-(methylthio)butyric acid Formula: C12H18N2O3S MolecularWeight: 270.34792

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CC=C1C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CCN1C=CC=C1C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C12H18N2O3S/c1-3-14-7-4-5-10(14)11(15)13-9(12(16)17)6-8-18-2/h4-5,7,9H,3,6,8H2,1-2H3,(H,13,15)(H,16,17)