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

Systemtic Name: diethyl 5-[[2-[[(2S)-butan-2-yl]amino]-2-oxidanylidene-ethyl]sulfanylmethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[[2-[[(1S)-1-methylpropyl]amino]-2-oxo-ethyl]sulfanylmethyl]-1H-pyrrole-2,4-dicarboxylate CAS Name: 5-[[[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]thio]methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]sulfanylmethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-[[[2-keto-2-[[(1S)-1-methylpropyl]amino]ethyl]thio]methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester Formula: C18H28N2O5S MolecularWeight: 384.49032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSCC1=C(C(=C(N1)C(=O)OCC)C)C(=O)OCC

Isomeric SMILES

CC[C@H](C)NC(=O)CSCC1=C(C(=C(N1)C(=O)OCC)C)C(=O)OCC

InChI

InChI=1S/C18H28N2O5S/c1-6-11(4)19-14(21)10-26-9-13-15(17(22)24-7-2)12(5)16(20-13)18(23)25-8-3/h11,20H,6-10H2,1-5H3,(H,19,21)/t11-/m0/s1