[2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Openeye Name: [2-(N-isopropylanilino)-2-oxo-ethyl] 2-(isopentylamino)thiazole-4-carboxylate CAS Name: 2-(3-methylbutylamino)-4-thiazolecarboxylic acid [2-oxo-2-(N-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(isoamylamino)thiazole-4-carboxylic acid [2-(N-isopropylanilino)-2-keto-ethyl] ester Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC(=CS1)C(=O)OCC(=O)N(C2=CC=CC=C2)C(C)C

Isomeric SMILES

CC(C)CCNC1=NC(=CS1)C(=O)OCC(=O)N(C2=CC=CC=C2)C(C)C

InChI

InChI=1S/C20H27N3O3S/c1-14(2)10-11-21-20-22-17(13-27-20)19(25)26-12-18(24)23(15(3)4)16-8-6-5-7-9-16/h5-9,13-15H,10-12H2,1-4H3,(H,21,22)