methyl 2,4-dimethyl-5-(2-propan-2-yloxycarbothioylsulfanylpropanoyl)-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2,4-dimethyl-5-(2-propan-2-yloxycarbothioylsulfanylpropanoyl)-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-(2-isopropoxycarbothioylsulfanylpropanoyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[1-oxo-2-[[propan-2-yloxy(sulfanylidene)methyl]thio]propyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-(2-propan-2-yloxycarbothioylsulfanylpropanoyl)-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-(isopropoxycarbothioylthio)propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C15H21NO4S2 MolecularWeight: 343.46154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)SC(=S)OC(C)C

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)SC(=S)OC(C)C

InChI

InChI=1S/C15H21NO4S2/c1-7(2)20-15(21)22-10(5)13(17)12-8(3)11(9(4)16-12)14(18)19-6/h7,10,16H,1-6H3