methyl 3-[2-methanoyl-4-(2-methoxy-2-oxidanylidene-ethyl)-1-(4-methylphenyl)sulfonyl-pyrrol-3-yl]propanoate

Systemtic Name: methyl 3-[2-methanoyl-4-(2-methoxy-2-oxidanylidene-ethyl)-1-(4-methylphenyl)sulfonyl-pyrrol-3-yl]propanoate Openeye Name: methyl 3-[2-formyl-4-(2-methoxy-2-oxo-ethyl)-1-(p-tolylsulfonyl)pyrrol-3-yl]propanoate CAS Name: 3-[2-formyl-4-(2-methoxy-2-oxoethyl)-1-(4-methylphenyl)sulfonyl-3-pyrrolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-formyl-4-(2-methoxy-2-oxoethyl)-1-(4-methylphenyl)sulfonylpyrrol-3-yl]propanoate Traditional Name: 3-[2-formyl-4-(2-keto-2-methoxy-ethyl)-1-tosyl-pyrrol-3-yl]propionic acid methyl ester Formula: C19H21NO7S MolecularWeight: 407.43754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C(=C2C=O)CCC(=O)OC)CC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C(=C2C=O)CCC(=O)OC)CC(=O)OC

InChI

InChI=1S/C19H21NO7S/c1-13-4-6-15(7-5-13)28(24,25)20-11-14(10-19(23)27-3)16(17(20)12-21)8-9-18(22)26-2/h4-7,11-12H,8-10H2,1-3H3