methyl 2-[2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethylsulfanyl]ethanoate

Systemtic Name: methyl 2-[2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethylsulfanyl]ethanoate Openeye Name: methyl 2-[2-[4-(4-nitrophenyl)thiazol-2-yl]ethylsulfanyl]acetate CAS Name: 2-[2-[4-(4-nitrophenyl)-2-thiazolyl]ethylthio]acetic acid methyl ester IUPAC Name: methyl 2-[2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]ethylsulfanyl]acetate Traditional Name: 2-[2-[4-(4-nitrophenyl)thiazol-2-yl]ethylthio]acetic acid methyl ester Formula: C14H14N2O4S2 MolecularWeight: 338.40196

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSCCC1=NC(=CS1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CSCCC1=NC(=CS1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H14N2O4S2/c1-20-14(17)9-21-7-6-13-15-12(8-22-13)10-2-4-11(5-3-10)16(18)19/h2-5,8H,6-7,9H2,1H3