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

Systemtic Name: [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxidanylidene-ethyl] (E)-3-quinolin-2-ylprop-2-enoate Openeye Name: [2-[5-(2-acetamidoethyl)-2-thienyl]-2-oxo-ethyl] (E)-3-(2-quinolyl)prop-2-enoate CAS Name: (E)-3-(2-quinolinyl)-2-propenoic acid [2-[5-(2-acetamidoethyl)-2-thiophenyl]-2-oxoethyl] ester IUPAC Name: [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] (E)-3-quinolin-2-ylprop-2-enoate Traditional Name: (E)-3-(2-quinolyl)acrylic acid [2-[5-(2-acetamidoethyl)-2-thienyl]-2-keto-ethyl] ester Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O4S/c1-15(25)23-13-12-18-9-10-21(29-18)20(26)14-28-22(27)11-8-17-7-6-16-4-2-3-5-19(16)24-17/h2-11H,12-14H2,1H3,(H,23,25)/b11-8+