[(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanoate

Systemtic Name: [(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanoate Openeye Name: [(1R)-2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetate CAS Name: 2-[2-[(methylthio)methyl]-1-benzimidazolyl]acetic acid [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetate Traditional Name: 2-[2-[(methylthio)methyl]benzimidazol-1-yl]acetic acid [(1R)-2-(cycloheptylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)OC(=O)CN2C3=CC=CC=C3N=C2CSC

Isomeric SMILES

C[C@H](C(=O)NC1CCCCCC1)OC(=O)CN2C3=CC=CC=C3N=C2CSC

InChI

InChI=1S/C21H29N3O3S/c1-15(21(26)22-16-9-5-3-4-6-10-16)27-20(25)13-24-18-12-8-7-11-17(18)23-19(24)14-28-2/h7-8,11-12,15-16H,3-6,9-10,13-14H2,1-2H3,(H,22,26)/t15-/m1/s1