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

Systemtic Name: methyl 1-cyclopentyl-2-methyl-4-[(4-methylsulfanylphenyl)methylidene]-5-oxidanylidene-pyrrole-3-carboxylate Openeye Name: methyl 1-cyclopentyl-2-methyl-4-[(4-methylsulfanylphenyl)methylene]-5-oxo-pyrrole-3-carboxylate CAS Name: 1-cyclopentyl-2-methyl-4-[[4-(methylthio)phenyl]methylidene]-5-oxo-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 1-cyclopentyl-2-methyl-4-[(4-methylsulfanylphenyl)methylidene]-5-oxopyrrole-3-carboxylate Traditional Name: 1-cyclopentyl-5-keto-2-methyl-4-[4-(methylthio)benzylidene]-2-pyrroline-3-carboxylic acid methyl ester Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC2=CC=C(C=C2)SC)C(=O)N1C3CCCC3)C(=O)OC

Isomeric SMILES

CC1=C(C(=CC2=CC=C(C=C2)SC)C(=O)N1C3CCCC3)C(=O)OC

InChI

InChI=1S/C20H23NO3S/c1-13-18(20(23)24-2)17(12-14-8-10-16(25-3)11-9-14)19(22)21(13)15-6-4-5-7-15/h8-12,15H,4-7H2,1-3H3