(2-ethyl-1,3-thiazol-4-yl)methyl 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: (2-ethyl-1,3-thiazol-4-yl)methyl 4-methylsulfanyl-3-nitro-benzoate Openeye Name: (2-ethylthiazol-4-yl)methyl 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid (2-ethyl-4-thiazolyl)methyl ester IUPAC Name: (2-ethyl-1,3-thiazol-4-yl)methyl 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid (2-ethylthiazol-4-yl)methyl ester Formula: C14H14N2O4S2 MolecularWeight: 338.40196

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=CS1)COC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

CCC1=NC(=CS1)COC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C14H14N2O4S2/c1-3-13-15-10(8-22-13)7-20-14(17)9-4-5-12(21-2)11(6-9)16(18)19/h4-6,8H,3,7H2,1-2H3