(4-nitrophenyl)methyl 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(isopentylamino)thiazole-4-carboxylate CAS Name: 2-(3-methylbutylamino)-4-thiazolecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(3-methylbutylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(isoamylamino)thiazole-4-carboxylic acid (4-nitrobenzyl) ester Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=NC(=CS1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCNC1=NC(=CS1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O4S/c1-11(2)7-8-17-16-18-14(10-24-16)15(20)23-9-12-3-5-13(6-4-12)19(21)22/h3-6,10-11H,7-9H2,1-2H3,(H,17,18)