methyl 4-bromanyl-5-(4-chlorylsulfanylphenyl)-1,2-dimethyl-pyrrole-3-carboxylate

Systemtic Name: methyl 4-bromanyl-5-(4-chlorylsulfanylphenyl)-1,2-dimethyl-pyrrole-3-carboxylate Openeye Name: methyl 4-bromo-5-(4-chlorylsulfanylphenyl)-1,2-dimethyl-pyrrole-3-carboxylate CAS Name: 4-bromo-5-[4-(chlorylthio)phenyl]-1,2-dimethyl-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 4-bromo-5-(4-chlorylsulfanylphenyl)-1,2-dimethylpyrrole-3-carboxylate Traditional Name: 4-bromo-5-[4-(chlorylthio)phenyl]-1,2-dimethyl-pyrrole-3-carboxylic acid methyl ester Formula: C14H13BrClNO4S MolecularWeight: 406.67932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1C)C2=CC=C(C=C2)SCl(=O)=O)Br)C(=O)OC

Isomeric SMILES

CC1=C(C(=C(N1C)C2=CC=C(C=C2)SCl(=O)=O)Br)C(=O)OC

InChI

InChI=1S/C14H13BrClNO4S/c1-8-11(14(18)21-3)12(15)13(17(8)2)9-4-6-10(7-5-9)22-16(19)20/h4-7H,1-3H3