tert-butyl 4-methyl-5-pyridin-2-ylsulfanylcarbonyl-1H-pyrrole-3-carboxylate

Systemtic Name: tert-butyl 4-methyl-5-pyridin-2-ylsulfanylcarbonyl-1H-pyrrole-3-carboxylate Openeye Name: tert-butyl 4-methyl-5-(2-pyridylsulfanylcarbonyl)-1H-pyrrole-3-carboxylate CAS Name: 4-methyl-5-[oxo-(2-pyridinylthio)methyl]-1H-pyrrole-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-methyl-5-pyridin-2-ylsulfanylcarbonyl-1H-pyrrole-3-carboxylate Traditional Name: 4-methyl-5-(2-pyridylthio)carbonyl-1H-pyrrole-3-carboxylic acid tert-butyl ester Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC=C1C(=O)OC(C)(C)C)C(=O)SC2=CC=CC=N2

Isomeric SMILES

CC1=C(NC=C1C(=O)OC(C)(C)C)C(=O)SC2=CC=CC=N2

InChI

InChI=1S/C16H18N2O3S/c1-10-11(14(19)21-16(2,3)4)9-18-13(10)15(20)22-12-7-5-6-8-17-12/h5-9,18H,1-4H3