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

Systemtic Name: (3-methyl-1,2-oxazol-5-yl)methyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitro-benzoate Openeye Name: (3-methylisoxazol-5-yl)methyl 2-(4-methylthiazol-2-yl)sulfanyl-5-nitro-benzoate CAS Name: 2-[(4-methyl-2-thiazolyl)thio]-5-nitrobenzoic acid (3-methyl-5-isoxazolyl)methyl ester IUPAC Name: (3-methyl-1,2-oxazol-5-yl)methyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitrobenzoate Traditional Name: 2-[(4-methylthiazol-2-yl)thio]-5-nitro-benzoic acid (3-methylisoxazol-5-yl)methyl ester Formula: C16H13N3O5S2 MolecularWeight: 391.42152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NC(=CS3)C

Isomeric SMILES

CC1=NOC(=C1)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NC(=CS3)C

InChI

InChI=1S/C16H13N3O5S2/c1-9-5-12(24-18-9)7-23-15(20)13-6-11(19(21)22)3-4-14(13)26-16-17-10(2)8-25-16/h3-6,8H,7H2,1-2H3