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

Systemtic Name: (2-acetamido-1,3-thiazol-4-yl)methyl 3-methyl-4-nitro-benzoate Openeye Name: (2-acetamidothiazol-4-yl)methyl 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid (2-acetamido-4-thiazolyl)methyl ester IUPAC Name: (2-acetamido-1,3-thiazol-4-yl)methyl 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid (2-acetamidothiazol-4-yl)methyl ester Formula: C14H13N3O5S MolecularWeight: 335.33512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OCC2=CSC(=N2)NC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OCC2=CSC(=N2)NC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O5S/c1-8-5-10(3-4-12(8)17(20)21)13(19)22-6-11-7-23-14(16-11)15-9(2)18/h3-5,7H,6H2,1-2H3,(H,15,16,18)