4-[[2-[[(R)-(1-methylimidazol-2-yl)-phenyl-methyl]amino]-2-oxidanylidene-ethyl]sulfanylmethyl]benzoate

Systemtic Name: 4-[[2-[[(R)-(1-methylimidazol-2-yl)-phenyl-methyl]amino]-2-oxidanylidene-ethyl]sulfanylmethyl]benzoate Openeye Name: 4-[[2-[[(R)-(1-methylimidazol-2-yl)-phenyl-methyl]amino]-2-oxo-ethyl]sulfanylmethyl]benzoate CAS Name: 4-[[[2-[[(R)-(1-methyl-2-imidazolyl)-phenylmethyl]amino]-2-oxoethyl]thio]methyl]benzoate IUPAC Name: 4-[[2-[[(R)-(1-methylimidazol-2-yl)-phenylmethyl]amino]-2-oxoethyl]sulfanylmethyl]benzoate Traditional Name: 4-[[[2-keto-2-[[(R)-(1-methylimidazol-2-yl)-phenyl-methyl]amino]ethyl]thio]methyl]benzoate Formula: C21H20N3O3S- MolecularWeight: 394.4668

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(C2=CC=CC=C2)NC(=O)CSCC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CN1C=CN=C1[C@@H](C2=CC=CC=C2)NC(=O)CSCC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C21H21N3O3S/c1-24-12-11-22-20(24)19(16-5-3-2-4-6-16)23-18(25)14-28-13-15-7-9-17(10-8-15)21(26)27/h2-12,19H,13-14H2,1H3,(H,23,25)(H,26,27)/p-1/t19-/m1/s1