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

Systemtic Name: [2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Openeye Name: [2-(2,3-dimethylanilino)-2-oxo-ethyl] 2-(isopentylamino)thiazole-4-carboxylate CAS Name: 2-(3-methylbutylamino)-4-thiazolecarboxylic acid [2-(2,3-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dimethylanilino)-2-oxoethyl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(isoamylamino)thiazole-4-carboxylic acid [2-(2,3-dimethylanilino)-2-keto-ethyl] ester Formula: C19H25N3O3S MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O3S/c1-12(2)8-9-20-19-22-16(11-26-19)18(24)25-10-17(23)21-15-7-5-6-13(3)14(15)4/h5-7,11-12H,8-10H2,1-4H3,(H,20,22)(H,21,23)