ethyl 4-[(2S)-2-[(4-methyl-2-nitro-phenoxy)methyl]-1,3-thiazolidin-3-yl]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[(2S)-2-[(4-methyl-2-nitro-phenoxy)methyl]-1,3-thiazolidin-3-yl]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[(2S)-2-[(4-methyl-2-nitro-phenoxy)methyl]thiazolidin-3-yl]-4-oxo-butanoate CAS Name: 4-[(2S)-2-[(4-methyl-2-nitrophenoxy)methyl]-3-thiazolidinyl]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[(2S)-2-[(4-methyl-2-nitrophenoxy)methyl]-1,3-thiazolidin-3-yl]-4-oxobutanoate Traditional Name: 4-keto-4-[(2S)-2-[(4-methyl-2-nitro-phenoxy)methyl]thiazolidin-3-yl]butyric acid ethyl ester Formula: C17H22N2O6S MolecularWeight: 382.43138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)N1CCSC1COC2=C(C=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCC(=O)N1CCS[C@H]1COC2=C(C=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C17H22N2O6S/c1-3-24-17(21)7-6-15(20)18-8-9-26-16(18)11-25-14-5-4-12(2)10-13(14)19(22)23/h4-5,10,16H,3,6-9,11H2,1-2H3/t16-/m0/s1