ethyl 2-[[tert-butyl-[(4-nitrophenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[[tert-butyl-[(4-nitrophenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[[tert-butyl-[(4-nitrophenyl)carbamoyl]amino]methyl]thiazole-4-carboxylate CAS Name: 2-[[tert-butyl-[(4-nitroanilino)-oxomethyl]amino]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[tert-butyl-[(4-nitrophenyl)carbamoyl]amino]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[tert-butyl-[(4-nitrophenyl)carbamoyl]amino]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C18H22N4O5S MolecularWeight: 406.45608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)CN(C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)CN(C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C(C)(C)C

InChI

InChI=1S/C18H22N4O5S/c1-5-27-16(23)14-11-28-15(20-14)10-21(18(2,3)4)17(24)19-12-6-8-13(9-7-12)22(25)26/h6-9,11H,5,10H2,1-4H3,(H,19,24)