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dimethyl 2-[2-[2-(3-ethylphenyl)carbonyl-5-methylsulfonyl-pyrrol-1-yl]ethyl]propanedioate

dimethyl 2-[2-[2-(3-ethylphenyl)carbonyl-5-methylsulfonyl-pyrrol-1-yl]ethyl]propanedioate

Systemtic Name:dimethyl 2-[2-[2-(3-ethylphenyl)carbonyl-5-methylsulfonyl-pyrrol-1-yl]ethyl]propanedioate
Openeye Name:dimethyl 2-[2-[2-(3-ethylbenzoyl)-5-methylsulfonyl-pyrrol-1-yl]ethyl]propanedioate
CAS Name:2-[2-[2-[(3-ethylphenyl)-oxomethyl]-5-methylsulfonyl-1-pyrrolyl]ethyl]propanedioic acid dimethyl ester
IUPAC Name:dimethyl 2-[2-[2-(3-ethylbenzoyl)-5-methylsulfonylpyrrol-1-yl]ethyl]propanedioate
Traditional Name:2-[2-[2-(3-ethylbenzoyl)-5-mesyl-pyrrol-1-yl]ethyl]malonic acid dimethyl ester
Formula: C21H25NO7S
MolecularWeight: 435.4907
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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1)C(=O)C2=CC=C(N2CCC(C(=O)OC)C(=O)OC)S(=O)(=O)C


Isomeric SMILES

CCC1=CC=CC(=C1)C(=O)C2=CC=C(N2CCC(C(=O)OC)C(=O)OC)S(=O)(=O)C


InChI

InChI=1S/C21H25NO7S/c1-5-14-7-6-8-15(13-14)19(23)17-9-10-18(30(4,26)27)22(17)12-11-16(20(24)28-2)21(25)29-3/h6-10,13,16H,5,11-12H2,1-4H3


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