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

Systemtic Name: methyl 3-[5-azanyl-2-ethyl-3-(phenylmethyl)imidazol-4-yl]sulfanylpropanoate Openeye Name: methyl 3-(5-amino-3-benzyl-2-ethyl-imidazol-4-yl)sulfanylpropanoate CAS Name: 3-[[5-amino-2-ethyl-3-(phenylmethyl)-4-imidazolyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-(5-amino-3-benzyl-2-ethylimidazol-4-yl)sulfanylpropanoate Traditional Name: 3-[(5-amino-3-benzyl-2-ethyl-imidazol-4-yl)thio]propionic acid methyl ester Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(N1CC2=CC=CC=C2)SCCC(=O)OC)N

Isomeric SMILES

CCC1=NC(=C(N1CC2=CC=CC=C2)SCCC(=O)OC)N

InChI

InChI=1S/C16H21N3O2S/c1-3-13-18-15(17)16(22-10-9-14(20)21-2)19(13)11-12-7-5-4-6-8-12/h4-8H,3,9-11,17H2,1-2H3