ethyl 2-[2,4-dimethyl-3-(phenylsulfonyl)pyrrol-1-yl]ethanoate

Systemtic Name: ethyl 2-[2,4-dimethyl-3-(phenylsulfonyl)pyrrol-1-yl]ethanoate Openeye Name: ethyl 2-[3-(benzenesulfonyl)-2,4-dimethyl-pyrrol-1-yl]acetate CAS Name: 2-[3-(benzenesulfonyl)-2,4-dimethyl-1-pyrrolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-(benzenesulfonyl)-2,4-dimethylpyrrol-1-yl]acetate Traditional Name: 2-(3-besyl-2,4-dimethyl-pyrrol-1-yl)acetic acid ethyl ester Formula: C16H19NO4S MolecularWeight: 321.39136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C=C(C(=C1C)S(=O)(=O)C2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)CN1C=C(C(=C1C)S(=O)(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C16H19NO4S/c1-4-21-15(18)11-17-10-12(2)16(13(17)3)22(19,20)14-8-6-5-7-9-14/h5-10H,4,11H2,1-3H3