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

Systemtic Name: methyl 2,4-dimethyl-5-(2-phenylsulfanylethylcarbamoyl)-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-(2-phenylsulfanylethylcarbamoyl)-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[oxo-[2-(phenylthio)ethylamino]methyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-(2-phenylsulfanylethylcarbamoyl)-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-(phenylthio)ethylcarbamoyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)NCCSC2=CC=CC=C2

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)NCCSC2=CC=CC=C2

InChI

InChI=1S/C17H20N2O3S/c1-11-14(17(21)22-3)12(2)19-15(11)16(20)18-9-10-23-13-7-5-4-6-8-13/h4-8,19H,9-10H2,1-3H3,(H,18,20)