[2-[[2-(tert-butylamino)-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: [2-[[2-(tert-butylamino)-2-oxidanylidene-ethyl]-methyl-amino]-2-oxidanylidene-ethyl] 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: [2-[[2-(tert-butylamino)-2-oxo-ethyl]-methyl-amino]-2-oxo-ethyl] 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid [2-[[2-(tert-butylamino)-2-keto-ethyl]-methyl-amino]-2-keto-ethyl] ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN(C)C(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CS3

Isomeric SMILES

CC(C)(C)NC(=O)CN(C)C(=O)COC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CS3

InChI

InChI=1S/C23H25N3O4S/c1-23(2,3)25-20(27)13-26(4)21(28)14-30-22(29)16-12-18(19-10-7-11-31-19)24-17-9-6-5-8-15(16)17/h5-12H,13-14H2,1-4H3,(H,25,27)