ethyl 4-[[5-[(4-nitrophenyl)methyl]-4-propyl-1,3-thiazol-2-yl]sulfanyl]butanoate

Systemtic Name: ethyl 4-[[5-[(4-nitrophenyl)methyl]-4-propyl-1,3-thiazol-2-yl]sulfanyl]butanoate Openeye Name: ethyl 4-[5-[(4-nitrophenyl)methyl]-4-propyl-thiazol-2-yl]sulfanylbutanoate CAS Name: 4-[[5-[(4-nitrophenyl)methyl]-4-propyl-2-thiazolyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[5-[(4-nitrophenyl)methyl]-4-propyl-1,3-thiazol-2-yl]sulfanyl]butanoate Traditional Name: 4-[[5-(4-nitrobenzyl)-4-propyl-thiazol-2-yl]thio]butyric acid ethyl ester Formula: C19H24N2O4S2 MolecularWeight: 408.53486

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(SC(=N1)SCCCC(=O)OCC)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCC1=C(SC(=N1)SCCCC(=O)OCC)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H24N2O4S2/c1-3-6-16-17(13-14-8-10-15(11-9-14)21(23)24)27-19(20-16)26-12-5-7-18(22)25-4-2/h8-11H,3-7,12-13H2,1-2H3