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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O4S/c1-23-15(20)8-3-2-4-9-17-16-18-14(11-24-16)12-6-5-7-13(10-12)19(21)22/h5-7,10-11H,2-4,8-9H2,1H3,(H,17,18)