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

Systemtic Name: methyl 2-methyl-4-[(4-methylsulfanylphenyl)methylidene]-5-oxidanylidene-1-(pyridin-3-ylmethyl)pyrrole-3-carboxylate Openeye Name: methyl 2-methyl-4-[(4-methylsulfanylphenyl)methylene]-5-oxo-1-(3-pyridylmethyl)pyrrole-3-carboxylate CAS Name: 2-methyl-4-[[4-(methylthio)phenyl]methylidene]-5-oxo-1-(3-pyridinylmethyl)-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 2-methyl-4-[(4-methylsulfanylphenyl)methylidene]-5-oxo-1-(pyridin-3-ylmethyl)pyrrole-3-carboxylate Traditional Name: 5-keto-2-methyl-4-[4-(methylthio)benzylidene]-1-(3-pyridylmethyl)-2-pyrroline-3-carboxylic acid methyl ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC2=CC=C(C=C2)SC)C(=O)N1CC3=CN=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(=CC2=CC=C(C=C2)SC)C(=O)N1CC3=CN=CC=C3)C(=O)OC

InChI

InChI=1S/C21H20N2O3S/c1-14-19(21(25)26-2)18(11-15-6-8-17(27-3)9-7-15)20(24)23(14)13-16-5-4-10-22-12-16/h4-12H,13H2,1-3H3