[(2R)-1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate

Systemtic Name: [(2R)-1-[(2,5-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Openeye Name: [(1R)-2-(2,5-dimethylanilino)-1-methyl-2-oxo-ethyl] 2-(isopentylamino)thiazole-4-carboxylate CAS Name: 2-(3-methylbutylamino)-4-thiazolecarboxylic acid [(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(isoamylamino)thiazole-4-carboxylic acid [(1R)-2-(2,5-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C)OC(=O)C2=CSC(=N2)NCCC(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)[C@@H](C)OC(=O)C2=CSC(=N2)NCCC(C)C

InChI

InChI=1S/C20H27N3O3S/c1-12(2)8-9-21-20-23-17(11-27-20)19(25)26-15(5)18(24)22-16-10-13(3)6-7-14(16)4/h6-7,10-12,15H,8-9H2,1-5H3,(H,21,23)(H,22,24)/t15-/m1/s1