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

Systemtic Name: [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxidanylidene-ethyl] 3-methyl-2-phenyl-quinoline-4-carboxylate Openeye Name: [2-[5-(acetamidomethyl)-2-thienyl]-2-oxo-ethyl] 3-methyl-2-phenyl-quinoline-4-carboxylate CAS Name: 3-methyl-2-phenyl-4-quinolinecarboxylic acid [2-[5-(acetamidomethyl)-2-thiophenyl]-2-oxoethyl] ester IUPAC Name: [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate Traditional Name: 3-methyl-2-phenyl-cinchoninic acid [2-[5-(acetamidomethyl)-2-thienyl]-2-keto-ethyl] ester Formula: C26H22N2O4S MolecularWeight: 458.52888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)OCC(=O)C4=CC=C(S4)CNC(=O)C

Isomeric SMILES

CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)OCC(=O)C4=CC=C(S4)CNC(=O)C

InChI

InChI=1S/C26H22N2O4S/c1-16-24(20-10-6-7-11-21(20)28-25(16)18-8-4-3-5-9-18)26(31)32-15-22(30)23-13-12-19(33-23)14-27-17(2)29/h3-13H,14-15H2,1-2H3,(H,27,29)