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

Systemtic Name: diethyl 5-[[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanylmethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: diethyl 5-[(2-indolin-1-yl-2-oxo-ethyl)sulfanylmethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 5-[[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thio]methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylmethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-[[(2-indolin-1-yl-2-keto-ethyl)thio]methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)CSCC(=O)N2CCC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)CSCC(=O)N2CCC3=CC=CC=C32

InChI

InChI=1S/C22H26N2O5S/c1-4-28-21(26)19-14(3)20(22(27)29-5-2)23-16(19)12-30-13-18(25)24-11-10-15-8-6-7-9-17(15)24/h6-9,23H,4-5,10-13H2,1-3H3