ethyl 2,4-dimethyl-5-[[2-(2-quinolin-8-ylsulfanylethanoyl)hydrazinyl]methylidene]pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[[2-(2-quinolin-8-ylsulfanylethanoyl)hydrazinyl]methylidene]pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[[2-[2-(8-quinolylsulfanyl)acetyl]hydrazino]methylene]pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[[[1-oxo-2-(8-quinolinylthio)ethyl]hydrazo]methylidene]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[[2-(2-quinolin-8-ylsulfanylacetyl)hydrazinyl]methylidene]pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[[N'-[2-(8-quinolylthio)acetyl]hydrazino]methylene]pyrrole-3-carboxylic acid ethyl ester Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CNNC(=O)CSC2=CC=CC3=C2N=CC=C3)N=C1C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=CNNC(=O)CSC2=CC=CC3=C2N=CC=C3)N=C1C)C

InChI

InChI=1S/C21H22N4O3S/c1-4-28-21(27)19-13(2)16(24-14(19)3)11-23-25-18(26)12-29-17-9-5-7-15-8-6-10-22-20(15)17/h5-11,23H,4,12H2,1-3H3,(H,25,26)