(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzoate

Systemtic Name: (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzoate Openeye Name: (3-isopropyl-1,2,4-oxadiazol-5-yl)methyl 4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzoate CAS Name: 4-[(4-methyl-2-thiazolyl)thio]-3-nitrobenzoic acid (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzoate Traditional Name: 4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzoic acid (3-isopropyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C17H16N4O5S2 MolecularWeight: 420.46274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)OCC3=NC(=NO3)C(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)OCC3=NC(=NO3)C(C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O5S2/c1-9(2)15-19-14(26-20-15)7-25-16(22)11-4-5-13(12(6-11)21(23)24)28-17-18-10(3)8-27-17/h4-6,8-9H,7H2,1-3H3