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

Systemtic Name: ethyl 2,4-dimethyl-5-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[2-[methyl-[[4-(methylthio)phenyl]methyl]amino]-1-oxopropyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propanoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-[methyl-[4-(methylthio)benzyl]amino]propanoyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)N(C)CC2=CC=C(C=C2)SC)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)C(C)N(C)CC2=CC=C(C=C2)SC)C

InChI

InChI=1S/C21H28N2O3S/c1-7-26-21(25)18-13(2)19(22-14(18)3)20(24)15(4)23(5)12-16-8-10-17(27-6)11-9-16/h8-11,15,22H,7,12H2,1-6H3