(2-acetamido-1,3-thiazol-4-yl)methyl 5-methylsulfanyl-2-nitro-benzoate

Systemtic Name: (2-acetamido-1,3-thiazol-4-yl)methyl 5-methylsulfanyl-2-nitro-benzoate Openeye Name: (2-acetamidothiazol-4-yl)methyl 5-methylsulfanyl-2-nitro-benzoate CAS Name: 5-(methylthio)-2-nitrobenzoic acid (2-acetamido-4-thiazolyl)methyl ester IUPAC Name: (2-acetamido-1,3-thiazol-4-yl)methyl 5-methylsulfanyl-2-nitrobenzoate Traditional Name: 5-(methylthio)-2-nitro-benzoic acid (2-acetamidothiazol-4-yl)methyl ester Formula: C14H13N3O5S2 MolecularWeight: 367.40012

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=CS1)COC(=O)C2=C(C=CC(=C2)SC)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=NC(=CS1)COC(=O)C2=C(C=CC(=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O5S2/c1-8(18)15-14-16-9(7-24-14)6-22-13(19)11-5-10(23-2)3-4-12(11)17(20)21/h3-5,7H,6H2,1-2H3,(H,15,16,18)