methyl 2-[[(4-nitrophenyl)carbamoyl-propan-2-yl-amino]methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: methyl 2-[[(4-nitrophenyl)carbamoyl-propan-2-yl-amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: methyl 2-[[isopropyl-[(4-nitrophenyl)carbamoyl]amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[[(4-nitroanilino)-oxomethyl]-propan-2-ylamino]methyl]-4-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(4-nitrophenyl)carbamoyl-propan-2-ylamino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[isopropyl-[(4-nitrophenyl)carbamoyl]amino]methyl]thiazole-4-carboxylic acid methyl ester Formula: C16H18N4O5S MolecularWeight: 378.40292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=NC(=CS1)C(=O)OC)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)N(CC1=NC(=CS1)C(=O)OC)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O5S/c1-10(2)19(8-14-18-13(9-26-14)15(21)25-3)16(22)17-11-4-6-12(7-5-11)20(23)24/h4-7,9-10H,8H2,1-3H3,(H,17,22)