[1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate

Systemtic Name: [1-(cycloheptylamino)-1-oxidanylidene-propan-2-yl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Openeye Name: [2-(cycloheptylamino)-1-methyl-2-oxo-ethyl] 2-(thiazol-4-ylmethylsulfanyl)benzoate CAS Name: 2-(4-thiazolylmethylthio)benzoic acid [1-(cycloheptylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cycloheptylamino)-1-oxopropan-2-yl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Traditional Name: 2-(thiazol-4-ylmethylthio)benzoic acid [2-(cycloheptylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)OC(=O)C2=CC=CC=C2SCC3=CSC=N3

Isomeric SMILES

CC(C(=O)NC1CCCCCC1)OC(=O)C2=CC=CC=C2SCC3=CSC=N3

InChI

InChI=1S/C21H26N2O3S2/c1-15(20(24)23-16-8-4-2-3-5-9-16)26-21(25)18-10-6-7-11-19(18)28-13-17-12-27-14-22-17/h6-7,10-12,14-16H,2-5,8-9,13H2,1H3,(H,23,24)