ethyl (4Z)-2-methyl-1-(2-methylpropyl)-4-[(4-methylsulfanylphenyl)methylidene]-5-oxidanylidene-pyrrole-3-carboxylate

Systemtic Name: ethyl (4Z)-2-methyl-1-(2-methylpropyl)-4-[(4-methylsulfanylphenyl)methylidene]-5-oxidanylidene-pyrrole-3-carboxylate Openeye Name: ethyl (4Z)-1-isobutyl-2-methyl-4-[(4-methylsulfanylphenyl)methylene]-5-oxo-pyrrole-3-carboxylate CAS Name: (4Z)-2-methyl-1-(2-methylpropyl)-4-[[4-(methylthio)phenyl]methylidene]-5-oxo-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl (4Z)-2-methyl-1-(2-methylpropyl)-4-[(4-methylsulfanylphenyl)methylidene]-5-oxopyrrole-3-carboxylate Traditional Name: (4Z)-1-isobutyl-5-keto-2-methyl-4-[4-(methylthio)benzylidene]-2-pyrroline-3-carboxylic acid ethyl ester Formula: C20H25NO3S MolecularWeight: 359.4824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)C1=CC2=CC=C(C=C2)SC)CC(C)C)C

Isomeric SMILES

CCOC(=O)C\1=C(N(C(=O)/C1=C\C2=CC=C(C=C2)SC)CC(C)C)C

InChI

InChI=1S/C20H25NO3S/c1-6-24-20(23)18-14(4)21(12-13(2)3)19(22)17(18)11-15-7-9-16(25-5)10-8-15/h7-11,13H,6,12H2,1-5H3/b17-11-