2-[2-[(1-methylpyrrol-2-yl)carbonylamino]-2-oxidanylidene-ethyl]sulfanylethanoic acid

Systemtic Name: 2-[2-[(1-methylpyrrol-2-yl)carbonylamino]-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-[[(1-methyl-2-pyrrolyl)-oxomethyl]amino]-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-keto-2-[(1-methylpyrrole-2-carbonyl)amino]ethyl]thio]acetic acid Formula: C10H12N2O4S MolecularWeight: 256.27828

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)NC(=O)CSCC(=O)O

Isomeric SMILES

CN1C=CC=C1C(=O)NC(=O)CSCC(=O)O

InChI

InChI=1S/C10H12N2O4S/c1-12-4-2-3-7(12)10(16)11-8(13)5-17-6-9(14)15/h2-4H,5-6H2,1H3,(H,14,15)(H,11,13,16)