[2-[5-[2-(methylsulfonylamino)ethyl]thiophen-2-yl]-2-oxidanylidene-ethyl] (E)-3-quinolin-2-ylprop-2-enoate

Systemtic Name: [2-[5-[2-(methylsulfonylamino)ethyl]thiophen-2-yl]-2-oxidanylidene-ethyl] (E)-3-quinolin-2-ylprop-2-enoate Openeye Name: [2-[5-[2-(methanesulfonamido)ethyl]-2-thienyl]-2-oxo-ethyl] (E)-3-(2-quinolyl)prop-2-enoate CAS Name: (E)-3-(2-quinolinyl)-2-propenoic acid [2-[5-[2-(methanesulfonamido)ethyl]-2-thiophenyl]-2-oxoethyl] ester IUPAC Name: [2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] (E)-3-quinolin-2-ylprop-2-enoate Traditional Name: (E)-3-(2-quinolyl)acrylic acid [2-keto-2-[5-[2-(methanesulfonamido)ethyl]-2-thienyl]ethyl] ester Formula: C21H20N2O5S2 MolecularWeight: 444.5239

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NCCC1=CC=C(S1)C(=O)COC(=O)C=CC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CS(=O)(=O)NCCC1=CC=C(S1)C(=O)COC(=O)/C=C/C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H20N2O5S2/c1-30(26,27)22-13-12-17-9-10-20(29-17)19(24)14-28-21(25)11-8-16-7-6-15-4-2-3-5-18(15)23-16/h2-11,22H,12-14H2,1H3/b11-8+