O3-[(2-acetamido-1,3-thiazol-4-yl)methyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[(2-acetamido-1,3-thiazol-4-yl)methyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[(2-acetamidothiazol-4-yl)methyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[(2-acetamido-4-thiazolyl)methyl] ester O1-ethyl ester IUPAC Name: 3-O-[(2-acetamido-1,3-thiazol-4-yl)methyl] 1-O-ethyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[(2-acetamidothiazol-4-yl)methyl] ester O1-ethyl ester Formula: C16H15N3O7S MolecularWeight: 393.3712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O7S/c1-3-25-14(21)10-4-11(6-13(5-10)19(23)24)15(22)26-7-12-8-27-16(18-12)17-9(2)20/h4-6,8H,3,7H2,1-2H3,(H,17,18,20)