methyl 2-[[(4-methyl-3-nitro-phenyl)carbonyl-propyl-amino]methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: methyl 2-[[(4-methyl-3-nitro-phenyl)carbonyl-propyl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[(4-methyl-3-nitro-benzoyl)-propyl-amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(4-methyl-3-nitrophenyl)-oxomethyl]-propylamino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(4-methyl-3-nitrobenzoyl)-propylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(4-methyl-3-nitro-benzoyl)-propyl-amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C17H19N3O5S MolecularWeight: 377.41486

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=NC(=CS1)C(=O)OC)C(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCCN(CC1=NC(=CS1)C(=O)OC)C(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O5S/c1-4-7-19(9-15-18-13(10-26-15)17(22)25-3)16(21)12-6-5-11(2)14(8-12)20(23)24/h5-6,8,10H,4,7,9H2,1-3H3