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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1)C(=O)NC2=CC=C(C=C2)SC)C)C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(N1)C(=O)NC2=CC=C(C=C2)SC)C)C(=O)OC

InChI

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