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

Systemtic Name: O1-ethyl O3-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-[2-[(4-methylthiazol-2-yl)amino]-2-oxo-ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-[(4-methyl-2-thiazolyl)amino]-2-oxoethyl] ester IUPAC Name: 1-O-ethyl 3-O-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-keto-2-[(4-methylthiazol-2-yl)amino]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)OCC(=O)NC2=NC(=CS2)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)NC2=NC(=CS2)C)[N+](=O)[O-]

InChI

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