[(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzoate

Systemtic Name: [(2R)-1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzoate Openeye Name: [(1R)-2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] 2-(4,5-dihydrothiazol-2-ylsulfanylmethyl)benzoate CAS Name: 2-[(4,5-dihydrothiazol-2-ylthio)methyl]benzoic acid [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)benzoate Traditional Name: 2-[(2-thiazolin-2-ylthio)methyl]benzoic acid [(1R)-2-(cycloheptylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H28N2O3S2 MolecularWeight: 420.58862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)OC(=O)C2=CC=CC=C2CSC3=NCCS3

Isomeric SMILES

C[C@H](C(=O)NC1CCCCCC1)OC(=O)C2=CC=CC=C2CSC3=NCCS3

InChI

InChI=1S/C21H28N2O3S2/c1-15(19(24)23-17-9-4-2-3-5-10-17)26-20(25)18-11-7-6-8-16(18)14-28-21-22-12-13-27-21/h6-8,11,15,17H,2-5,9-10,12-14H2,1H3,(H,23,24)/t15-/m1/s1