methyl 3-[2-ethyl-5-nitro-3-(phenylmethyl)imidazol-4-yl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-ethyl-5-nitro-3-(phenylmethyl)imidazol-4-yl]sulfanylpropanoate Openeye Name: methyl 3-(3-benzyl-2-ethyl-5-nitro-imidazol-4-yl)sulfanylpropanoate CAS Name: 3-[[2-ethyl-5-nitro-3-(phenylmethyl)-4-imidazolyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-(3-benzyl-2-ethyl-5-nitroimidazol-4-yl)sulfanylpropanoate Traditional Name: 3-[(3-benzyl-2-ethyl-5-nitro-imidazol-4-yl)thio]propionic acid methyl ester Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(N1CC2=CC=CC=C2)SCCC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCC1=NC(=C(N1CC2=CC=CC=C2)SCCC(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O4S/c1-3-13-17-15(19(21)22)16(24-10-9-14(20)23-2)18(13)11-12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3