ethyl 3,3-diethoxy-2-[[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methylideneamino]propanoate

Systemtic Name: ethyl 3,3-diethoxy-2-[[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methylideneamino]propanoate Openeye Name: ethyl 3,3-diethoxy-2-[[1-(p-tolylsulfonyl)pyrrol-2-yl]methyleneamino]propanoate CAS Name: 3,3-diethoxy-2-[[1-(4-methylphenyl)sulfonyl-2-pyrrolyl]methylideneamino]propanoic acid ethyl ester IUPAC Name: ethyl 3,3-diethoxy-2-[[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methylideneamino]propanoate Traditional Name: 3,3-diethoxy-2-[(1-tosylpyrrol-2-yl)methyleneamino]propionic acid ethyl ester Formula: C21H28N2O6S MolecularWeight: 436.52182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C(C(=O)OCC)N=CC1=CC=CN1S(=O)(=O)C2=CC=C(C=C2)C)OCC

Isomeric SMILES

CCOC(C(C(=O)OCC)N=CC1=CC=CN1S(=O)(=O)C2=CC=C(C=C2)C)OCC

InChI

InChI=1S/C21H28N2O6S/c1-5-27-20(24)19(21(28-6-2)29-7-3)22-15-17-9-8-14-23(17)30(25,26)18-12-10-16(4)11-13-18/h8-15,19,21H,5-7H2,1-4H3