ethyl 2-[2-[[4-(azepan-1-yl)-3-nitro-phenyl]carbonylamino]-1,3-thiazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[2-[[4-(azepan-1-yl)-3-nitro-phenyl]carbonylamino]-1,3-thiazol-4-yl]ethanoate Openeye Name: ethyl 2-[2-[[4-(azepan-1-yl)-3-nitro-benzoyl]amino]thiazol-4-yl]acetate CAS Name: 2-[2-[[[4-(1-azepanyl)-3-nitrophenyl]-oxomethyl]amino]-4-thiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[[4-(azepan-1-yl)-3-nitrobenzoyl]amino]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[[4-(azepan-1-yl)-3-nitro-benzoyl]amino]thiazol-4-yl]acetic acid ethyl ester Formula: C20H24N4O5S MolecularWeight: 432.49336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=N1)NC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CC1=CSC(=N1)NC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O5S/c1-2-29-18(25)12-15-13-30-20(21-15)22-19(26)14-7-8-16(17(11-14)24(27)28)23-9-5-3-4-6-10-23/h7-8,11,13H,2-6,9-10,12H2,1H3,(H,21,22,26)