ethyl N-[[5-[(4-nitrophenyl)methyl]-4-propyl-1,3-thiazol-2-yl]methyl]carbamate

Systemtic Name: ethyl N-[[5-[(4-nitrophenyl)methyl]-4-propyl-1,3-thiazol-2-yl]methyl]carbamate Openeye Name: ethyl N-[[5-[(4-nitrophenyl)methyl]-4-propyl-thiazol-2-yl]methyl]carbamate CAS Name: N-[[5-[(4-nitrophenyl)methyl]-4-propyl-2-thiazolyl]methyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[[5-[(4-nitrophenyl)methyl]-4-propyl-1,3-thiazol-2-yl]methyl]carbamate Traditional Name: N-[[5-(4-nitrobenzyl)-4-propyl-thiazol-2-yl]methyl]carbamic acid ethyl ester Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(SC(=N1)CNC(=O)OCC)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCC1=C(SC(=N1)CNC(=O)OCC)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O4S/c1-3-5-14-15(10-12-6-8-13(9-7-12)20(22)23)25-16(19-14)11-18-17(21)24-4-2/h6-9H,3-5,10-11H2,1-2H3,(H,18,21)