2-methyl-2-[4-[1-pentyl-4-(phenylmethoxycarbonylamino)imidazol-2-yl]phenyl]sulfanyl-propanoate

Systemtic Name: 2-methyl-2-[4-[1-pentyl-4-(phenylmethoxycarbonylamino)imidazol-2-yl]phenyl]sulfanyl-propanoate Openeye Name: 2-[4-[4-(benzyloxycarbonylamino)-1-pentyl-imidazol-2-yl]phenyl]sulfanyl-2-methyl-propanoate CAS Name: 2-methyl-2-[[4-[1-pentyl-4-(phenylmethoxycarbonylamino)-2-imidazolyl]phenyl]thio]propanoate IUPAC Name: 2-methyl-2-[4-[1-pentyl-4-(phenylmethoxycarbonylamino)imidazol-2-yl]phenyl]sulfanylpropanoate Traditional Name: 2-[[4-[1-amyl-4-(benzyloxycarbonylamino)imidazol-2-yl]phenyl]thio]-2-methyl-propionate Formula: C26H30N3O4S- MolecularWeight: 480.5991

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=C(N=C1C2=CC=C(C=C2)SC(C)(C)C(=O)[O-])NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCN1C=C(N=C1C2=CC=C(C=C2)SC(C)(C)C(=O)[O-])NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H31N3O4S/c1-4-5-9-16-29-17-22(28-25(32)33-18-19-10-7-6-8-11-19)27-23(29)20-12-14-21(15-13-20)34-26(2,3)24(30)31/h6-8,10-15,17H,4-5,9,16,18H2,1-3H3,(H,28,32)(H,30,31)/p-1