2-[(5R)-2-methylimino-3-(2-methyl-5-nitro-phenyl)-4-oxidanylidene-1,3-thiazolidin-5-yl]ethanoate

Systemtic Name: 2-[(5R)-2-methylimino-3-(2-methyl-5-nitro-phenyl)-4-oxidanylidene-1,3-thiazolidin-5-yl]ethanoate Openeye Name: 2-[(5R)-2-methylimino-3-(2-methyl-5-nitro-phenyl)-4-oxo-thiazolidin-5-yl]acetate CAS Name: 2-[(5R)-2-methylimino-3-(2-methyl-5-nitrophenyl)-4-oxo-5-thiazolidinyl]acetate IUPAC Name: 2-[(5R)-2-methylimino-3-(2-methyl-5-nitrophenyl)-4-oxo-1,3-thiazolidin-5-yl]acetate Traditional Name: 2-[(5R)-4-keto-2-methylimino-3-(2-methyl-5-nitro-phenyl)thiazolidin-5-yl]acetate Formula: C13H12N3O5S- MolecularWeight: 322.31648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])N2C(=O)C(SC2=NC)CC(=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N2C(=O)[C@H](SC2=NC)CC(=O)[O-]

InChI

InChI=1S/C13H13N3O5S/c1-7-3-4-8(16(20)21)5-9(7)15-12(19)10(6-11(17)18)22-13(15)14-2/h3-5,10H,6H2,1-2H3,(H,17,18)/p-1/t10-/m1/s1