O3-[(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxidanylidene-propyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[(3S)-3-cyano-3-(4-methylthiazol-2-yl)-2-oxo-propyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[(3S)-3-cyano-3-(4-methyl-2-thiazolyl)-2-oxopropyl] ester O1-methyl ester IUPAC Name: 3-O-[(3S)-3-cyano-3-(4-methyl-1,3-thiazol-2-yl)-2-oxopropyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[(3S)-3-cyano-2-keto-3-(4-methylthiazol-2-yl)propyl] ester O1-methyl ester Formula: C17H13N3O7S MolecularWeight: 403.36602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C#N)C(=O)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)[C@@H](C#N)C(=O)COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O7S/c1-9-8-28-15(19-9)13(6-18)14(21)7-27-17(23)11-3-10(16(22)26-2)4-12(5-11)20(24)25/h3-5,8,13H,7H2,1-2H3/t13-/m0/s1