ethyl 2,5-dimethyl-4-[2-[(2-methylphenyl)methylsulfanyl]ethanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-4-[2-[(2-methylphenyl)methylsulfanyl]ethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-4-[2-(o-tolylmethylsulfanyl)acetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[2-[(2-methylphenyl)methylthio]-1-oxoethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-[2-[(2-methylphenyl)methylsulfanyl]acetyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-4-[2-[(2-methylbenzyl)thio]acetyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C19H23NO3S MolecularWeight: 345.45582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)CSCC2=CC=CC=C2C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)CSCC2=CC=CC=C2C)C)C

InChI

InChI=1S/C19H23NO3S/c1-5-23-19(22)18-14(4)20-13(3)17(18)16(21)11-24-10-15-9-7-6-8-12(15)2/h6-9,20H,5,10-11H2,1-4H3