[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxidanylidene-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate

Systemtic Name: [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxidanylidene-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate Openeye Name: [2-[5-(acetamidomethyl)-2-thienyl]-2-oxo-ethyl] 2-ethyl-3-methyl-quinoline-4-carboxylate CAS Name: 2-ethyl-3-methyl-4-quinolinecarboxylic acid [2-[5-(acetamidomethyl)-2-thiophenyl]-2-oxoethyl] ester IUPAC Name: [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate Traditional Name: 2-ethyl-3-methyl-cinchoninic acid [2-[5-(acetamidomethyl)-2-thienyl]-2-keto-ethyl] ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)C3=CC=C(S3)CNC(=O)C

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)OCC(=O)C3=CC=C(S3)CNC(=O)C

InChI

InChI=1S/C22H22N2O4S/c1-4-17-13(2)21(16-7-5-6-8-18(16)24-17)22(27)28-12-19(26)20-10-9-15(29-20)11-23-14(3)25/h5-10H,4,11-12H2,1-3H3,(H,23,25)