methyl 6-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]hexanoate

Systemtic Name: methyl 6-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]hexanoate Openeye Name: methyl 6-[[4-(4-nitrophenyl)thiazol-2-yl]amino]hexanoate CAS Name: 6-[[4-(4-nitrophenyl)-2-thiazolyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[4-(4-nitrophenyl)-1,3-thiazol-2-yl]amino]hexanoate Traditional Name: 6-[[4-(4-nitrophenyl)thiazol-2-yl]amino]hexanoic acid methyl ester Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC1=NC(=CS1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCCCCNC1=NC(=CS1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O4S/c1-23-15(20)5-3-2-4-10-17-16-18-14(11-24-16)12-6-8-13(9-7-12)19(21)22/h6-9,11H,2-5,10H2,1H3,(H,17,18)