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

Systemtic Name: methyl 6-[[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-phenyl]carbonylamino]hexanoate Openeye Name: methyl 6-[[4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzoyl]amino]hexanoate CAS Name: 6-[[[4-[(4-methyl-2-thiazolyl)thio]-3-nitrophenyl]-oxomethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzoyl]amino]hexanoate Traditional Name: 6-[[4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzoyl]amino]hexanoic acid methyl ester Formula: C18H21N3O5S2 MolecularWeight: 423.50644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NCCCCCC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)NCCCCCC(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O5S2/c1-12-11-27-18(20-12)28-15-8-7-13(10-14(15)21(24)25)17(23)19-9-5-3-4-6-16(22)26-2/h7-8,10-11H,3-6,9H2,1-2H3,(H,19,23)