methyl 4-(2-chloranyl-5-methylsulfanyl-phenyl)carbonyl-2,5-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 4-(2-chloranyl-5-methylsulfanyl-phenyl)carbonyl-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 4-(2-chloro-5-methylsulfanyl-benzoyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[[2-chloro-5-(methylthio)phenyl]-oxomethyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(2-chloro-5-methylsulfanylbenzoyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[2-chloro-5-(methylthio)benzoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C16H16ClNO3S MolecularWeight: 337.82114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1)C)C(=O)OC)C(=O)C2=C(C=CC(=C2)SC)Cl

Isomeric SMILES

CC1=C(C(=C(N1)C)C(=O)OC)C(=O)C2=C(C=CC(=C2)SC)Cl

InChI

InChI=1S/C16H16ClNO3S/c1-8-13(14(9(2)18-8)16(20)21-3)15(19)11-7-10(22-4)5-6-12(11)17/h5-7,18H,1-4H3