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

Systemtic Name: methyl 6-[[4-(4-methyl-3-nitro-phenyl)-1,3-thiazol-2-yl]amino]hexanoate Openeye Name: methyl 6-[[4-(4-methyl-3-nitro-phenyl)thiazol-2-yl]amino]hexanoate CAS Name: 6-[[4-(4-methyl-3-nitrophenyl)-2-thiazolyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]amino]hexanoate Traditional Name: 6-[[4-(4-methyl-3-nitro-phenyl)thiazol-2-yl]amino]hexanoic acid methyl ester Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CSC(=N2)NCCCCCC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CSC(=N2)NCCCCCC(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O4S/c1-12-7-8-13(10-15(12)20(22)23)14-11-25-17(19-14)18-9-5-3-4-6-16(21)24-2/h7-8,10-11H,3-6,9H2,1-2H3,(H,18,19)