ethyl (E,4E)-4-[3-(methoxymethyl)quinolin-2-yl]-4-methylsulfonylimino-but-2-enoate

Systemtic Name: ethyl (E,4E)-4-[3-(methoxymethyl)quinolin-2-yl]-4-methylsulfonylimino-but-2-enoate Openeye Name: ethyl (E,4E)-4-[3-(methoxymethyl)-2-quinolyl]-4-methylsulfonylimino-but-2-enoate CAS Name: (E,4E)-4-[3-(methoxymethyl)-2-quinolinyl]-4-methylsulfonylimino-2-butenoic acid ethyl ester IUPAC Name: ethyl (E,4E)-4-[3-(methoxymethyl)quinolin-2-yl]-4-methylsulfonyliminobut-2-enoate Traditional Name: (E,4E)-4-mesylimino-4-[3-(methoxymethyl)-2-quinolyl]but-2-enoic acid ethyl ester Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=NS(=O)(=O)C)C1=NC2=CC=CC=C2C=C1COC

Isomeric SMILES

CCOC(=O)/C=C/C(=N\S(=O)(=O)C)/C1=NC2=CC=CC=C2C=C1COC

InChI

InChI=1S/C18H20N2O5S/c1-4-25-17(21)10-9-16(20-26(3,22)23)18-14(12-24-2)11-13-7-5-6-8-15(13)19-18/h5-11H,4,12H2,1-3H3/b10-9+,20-16+