dimethyl 2-[2-[2-methylsulfonyl-5-(4-methylthiophen-2-yl)carbonyl-pyrrol-1-yl]ethyl]propanedioate

Systemtic Name: dimethyl 2-[2-[2-methylsulfonyl-5-(4-methylthiophen-2-yl)carbonyl-pyrrol-1-yl]ethyl]propanedioate Openeye Name: dimethyl 2-[2-[2-methylsulfonyl-5-(4-methylthiophene-2-carbonyl)pyrrol-1-yl]ethyl]propanedioate CAS Name: 2-[2-[2-methylsulfonyl-5-[(4-methyl-2-thiophenyl)-oxomethyl]-1-pyrrolyl]ethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[2-[2-methylsulfonyl-5-(4-methylthiophene-2-carbonyl)pyrrol-1-yl]ethyl]propanedioate Traditional Name: 2-[2-[2-mesyl-5-(4-methylthiophene-2-carbonyl)pyrrol-1-yl]ethyl]malonic acid dimethyl ester Formula: C18H21NO7S2 MolecularWeight: 427.49184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=C1)C(=O)C2=CC=C(N2CCC(C(=O)OC)C(=O)OC)S(=O)(=O)C

Isomeric SMILES

CC1=CSC(=C1)C(=O)C2=CC=C(N2CCC(C(=O)OC)C(=O)OC)S(=O)(=O)C

InChI

InChI=1S/C18H21NO7S2/c1-11-9-14(27-10-11)16(20)13-5-6-15(28(4,23)24)19(13)8-7-12(17(21)25-2)18(22)26-3/h5-6,9-10,12H,7-8H2,1-4H3