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

Systemtic Name: methyl 2,4-dimethyl-5-[(4-methylsulfanylphenyl)carbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[(4-methylsulfanylphenyl)carbamoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[[4-(methylthio)anilino]-oxomethyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[(4-methylsulfanylphenyl)carbamoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[[4-(methylthio)phenyl]carbamoyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)NC2=CC=C(C=C2)SC

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)NC2=CC=C(C=C2)SC

InChI

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