methyl 5-[2-[(5-bromanylthiophen-2-yl)methylsulfanyl]ethylcarbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 5-[2-[(5-bromanylthiophen-2-yl)methylsulfanyl]ethylcarbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[2-[(5-bromo-2-thienyl)methylsulfanyl]ethylcarbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[2-[(5-bromo-2-thiophenyl)methylthio]ethylamino]-oxomethyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[2-[(5-bromothiophen-2-yl)methylsulfanyl]ethylcarbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-[(5-bromo-2-thienyl)methylthio]ethylcarbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C17H21BrN2O3S2 MolecularWeight: 445.39424

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1)C(=O)NCCSCC2=CC=C(S2)Br)C)C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(N1)C(=O)NCCSCC2=CC=C(S2)Br)C)C(=O)OC

InChI

InChI=1S/C17H21BrN2O3S2/c1-4-12-14(17(22)23-3)10(2)15(20-12)16(21)19-7-8-24-9-11-5-6-13(18)25-11/h5-6,20H,4,7-9H2,1-3H3,(H,19,21)