(3S,4R)-4-(2,5-dimethoxy-3-nitro-phenyl)-4-methoxy-3-methyl-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)butan-1-one

Systemtic Name: (3S,4R)-4-(2,5-dimethoxy-3-nitro-phenyl)-4-methoxy-3-methyl-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)butan-1-one Openeye Name: (3S,4R)-4-(2,5-dimethoxy-3-nitro-phenyl)-4-methoxy-3-methyl-1-(2-thioxothiazolidin-3-yl)butan-1-one CAS Name: (3S,4R)-4-(2,5-dimethoxy-3-nitrophenyl)-4-methoxy-3-methyl-1-(2-sulfanylidene-3-thiazolidinyl)-1-butanone IUPAC Name: (3S,4R)-4-(2,5-dimethoxy-3-nitrophenyl)-4-methoxy-3-methyl-1-(2-sulfanylidene-1,3-thiazolidin-3-yl)butan-1-one Traditional Name: (3S,4R)-4-(2,5-dimethoxy-3-nitro-phenyl)-4-methoxy-3-methyl-1-(2-thioxothiazolidin-3-yl)butan-1-one Formula: C17H22N2O6S2 MolecularWeight: 414.49638

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N1CCSC1=S)C(C2=CC(=CC(=C2OC)[N+](=O)[O-])OC)OC

Isomeric SMILES

C[C@@H](CC(=O)N1CCSC1=S)[C@H](C2=CC(=CC(=C2OC)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C17H22N2O6S2/c1-10(7-14(20)18-5-6-27-17(18)26)15(24-3)12-8-11(23-2)9-13(19(21)22)16(12)25-4/h8-10,15H,5-7H2,1-4H3/t10-,15+/m0/s1