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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)NC2=CC=CC=C2SC)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)NC2=CC=CC=C2SC)C

InChI

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