diethyl 3-methyl-5-[[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxidanylidene-ethyl]sulfanylmethyl]-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxidanylidene-ethyl]sulfanylmethyl]-1H-pyrrole-2,4-dicarboxylate Openeye Name: diethyl 5-[[2-[[(1R)-1,2-dimethylpropyl]amino]-2-oxo-ethyl]sulfanylmethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]thio]methyl]-1H-pyrrole-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl]sulfanylmethyl]-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-[[[2-[[(1R)-1,2-dimethylpropyl]amino]-2-keto-ethyl]thio]methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester Formula: C19H30N2O5S MolecularWeight: 398.5169

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)CSCC(=O)NC(C)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)CSCC(=O)N[C@H](C)C(C)C

InChI

InChI=1S/C19H30N2O5S/c1-7-25-18(23)16-12(5)17(19(24)26-8-2)21-14(16)9-27-10-15(22)20-13(6)11(3)4/h11,13,21H,7-10H2,1-6H3,(H,20,22)/t13-/m1/s1