ethyl 2,4-dimethyl-5-[(3-methylsulfanylphenyl)carbamoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[(3-methylsulfanylphenyl)carbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[(3-methylsulfanylphenyl)carbamoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[[3-(methylthio)anilino]-oxomethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[(3-methylsulfanylphenyl)carbamoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[[3-(methylthio)phenyl]carbamoyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)NC2=CC(=CC=C2)SC)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)NC2=CC(=CC=C2)SC)C

InChI

InChI=1S/C17H20N2O3S/c1-5-22-17(21)14-10(2)15(18-11(14)3)16(20)19-12-7-6-8-13(9-12)23-4/h6-9,18H,5H2,1-4H3,(H,19,20)