[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 2-(isopentylamino)thiazole-4-carboxylate CAS Name: 2-(3-methylbutylamino)-4-thiazolecarboxylic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(isoamylamino)thiazole-4-carboxylic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CSC(=N2)NCCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CSC(=N2)NCCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O5S/c1-11(2)6-7-19-18-20-14(10-27-18)17(23)26-9-16(22)13-5-4-12(3)15(8-13)21(24)25/h4-5,8,10-11H,6-7,9H2,1-3H3,(H,19,20)