methyl 2-[2-[2-(tert-butylamino)-2-oxidanylidene-ethyl]sulfanyl-4-(4-nitrophenyl)imidazol-1-yl]ethanoate

Systemtic Name: methyl 2-[2-[2-(tert-butylamino)-2-oxidanylidene-ethyl]sulfanyl-4-(4-nitrophenyl)imidazol-1-yl]ethanoate Openeye Name: methyl 2-[2-[2-(tert-butylamino)-2-oxo-ethyl]sulfanyl-4-(4-nitrophenyl)imidazol-1-yl]acetate CAS Name: 2-[2-[[2-(tert-butylamino)-2-oxoethyl]thio]-4-(4-nitrophenyl)-1-imidazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-(tert-butylamino)-2-oxoethyl]sulfanyl-4-(4-nitrophenyl)imidazol-1-yl]acetate Traditional Name: 2-[2-[[2-(tert-butylamino)-2-keto-ethyl]thio]-4-(4-nitrophenyl)imidazol-1-yl]acetic acid methyl ester Formula: C18H22N4O5S MolecularWeight: 406.45608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CSC1=NC(=CN1CC(=O)OC)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NC(=O)CSC1=NC(=CN1CC(=O)OC)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O5S/c1-18(2,3)20-15(23)11-28-17-19-14(9-21(17)10-16(24)27-4)12-5-7-13(8-6-12)22(25)26/h5-9H,10-11H2,1-4H3,(H,20,23)