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

Systemtic Name: methyl 2-methyl-4-[(4-methylsulfanylphenyl)methylidene]-5-oxidanylidene-1-propyl-pyrrole-3-carboxylate Openeye Name: methyl 2-methyl-4-[(4-methylsulfanylphenyl)methylene]-5-oxo-1-propyl-pyrrole-3-carboxylate CAS Name: 2-methyl-4-[[4-(methylthio)phenyl]methylidene]-5-oxo-1-propyl-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 2-methyl-4-[(4-methylsulfanylphenyl)methylidene]-5-oxo-1-propylpyrrole-3-carboxylate Traditional Name: 5-keto-2-methyl-4-[4-(methylthio)benzylidene]-1-propyl-2-pyrroline-3-carboxylic acid methyl ester Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=CC2=CC=C(C=C2)SC)C1=O)C(=O)OC)C

Isomeric SMILES

CCCN1C(=C(C(=CC2=CC=C(C=C2)SC)C1=O)C(=O)OC)C

InChI

InChI=1S/C18H21NO3S/c1-5-10-19-12(2)16(18(21)22-3)15(17(19)20)11-13-6-8-14(23-4)9-7-13/h6-9,11H,5,10H2,1-4H3