ethyl 2,4-dimethyl-5-(2-phenylsulfanylethanoyl)-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-(2-phenylsulfanylethanoyl)-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-(2-phenylsulfanylacetyl)-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[1-oxo-2-(phenylthio)ethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-(2-phenylsulfanylacetyl)-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-(phenylthio)acetyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C17H19NO3S MolecularWeight: 317.40266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)CSC2=CC=CC=C2)C

InChI

InChI=1S/C17H19NO3S/c1-4-21-17(20)15-11(2)16(18-12(15)3)14(19)10-22-13-8-6-5-7-9-13/h5-9,18H,4,10H2,1-3H3