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

Systemtic Name: methyl 3-[5-acetamido-2-ethyl-3-(phenylmethyl)imidazol-4-yl]sulfanylpropanoate Openeye Name: methyl 3-(5-acetamido-3-benzyl-2-ethyl-imidazol-4-yl)sulfanylpropanoate CAS Name: 3-[[5-acetamido-2-ethyl-3-(phenylmethyl)-4-imidazolyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-(5-acetamido-3-benzyl-2-ethylimidazol-4-yl)sulfanylpropanoate Traditional Name: 3-[(5-acetamido-3-benzyl-2-ethyl-imidazol-4-yl)thio]propionic acid methyl ester Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O3S/c1-4-15-20-17(19-13(2)22)18(25-11-10-16(23)24-3)21(15)12-14-8-6-5-7-9-14/h5-9H,4,10-12H2,1-3H3,(H,19,22)