[2-[tert-butyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: [2-[tert-butyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: [2-[benzyl(tert-butyl)amino]-2-oxo-ethyl] 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid [2-[tert-butyl-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid [2-[benzyl(tert-butyl)amino]-2-keto-ethyl] ester Formula: C27H26N2O3S MolecularWeight: 458.57194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CC1=CC=CC=C1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4

Isomeric SMILES

CC(C)(C)N(CC1=CC=CC=C1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4

InChI

InChI=1S/C27H26N2O3S/c1-27(2,3)29(17-19-10-5-4-6-11-19)25(30)18-32-26(31)21-16-23(24-14-9-15-33-24)28-22-13-8-7-12-20(21)22/h4-16H,17-18H2,1-3H3