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

Systemtic Name: ethyl 2-[2-[(1-methylpyrrol-2-yl)carbonylamino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: ethyl 2-[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-[[(1-methyl-2-pyrrolyl)-oxomethyl]amino]-2-oxoethyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-keto-2-[(1-methylpyrrole-2-carbonyl)amino]ethyl]thio]acetic acid ethyl ester Formula: C12H16N2O4S MolecularWeight: 284.33144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSCC(=O)NC(=O)C1=CC=CN1C

Isomeric SMILES

CCOC(=O)CSCC(=O)NC(=O)C1=CC=CN1C

InChI

InChI=1S/C12H16N2O4S/c1-3-18-11(16)8-19-7-10(15)13-12(17)9-5-4-6-14(9)2/h4-6H,3,7-8H2,1-2H3,(H,13,15,17)