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

Systemtic Name: methyl (4Z)-1-(3-bromophenyl)-2-methyl-4-[(4-methylsulfanylphenyl)methylidene]-5-oxidanylidene-pyrrole-3-carboxylate Openeye Name: methyl (4Z)-1-(3-bromophenyl)-2-methyl-4-[(4-methylsulfanylphenyl)methylene]-5-oxo-pyrrole-3-carboxylate CAS Name: (4Z)-1-(3-bromophenyl)-2-methyl-4-[[4-(methylthio)phenyl]methylidene]-5-oxo-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl (4Z)-1-(3-bromophenyl)-2-methyl-4-[(4-methylsulfanylphenyl)methylidene]-5-oxopyrrole-3-carboxylate Traditional Name: (4Z)-1-(3-bromophenyl)-5-keto-2-methyl-4-[4-(methylthio)benzylidene]-2-pyrroline-3-carboxylic acid methyl ester Formula: C21H18BrNO3S MolecularWeight: 444.34152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC2=CC=C(C=C2)SC)C(=O)N1C3=CC(=CC=C3)Br)C(=O)OC

Isomeric SMILES

CC1=C(/C(=C/C2=CC=C(C=C2)SC)/C(=O)N1C3=CC(=CC=C3)Br)C(=O)OC

InChI

InChI=1S/C21H18BrNO3S/c1-13-19(21(25)26-2)18(11-14-7-9-17(27-3)10-8-14)20(24)23(13)16-6-4-5-15(22)12-16/h4-12H,1-3H3/b18-11-