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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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