ethyl 4-[2-[2-[(2-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoyl]oxyethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[2-[(2-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoyl]oxyethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[2-[(2-chlorobenzoyl)amino]-4-methylsulfanyl-butanoyl]oxyacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[2-[[(2-chlorophenyl)-oxomethyl]amino]-4-(methylthio)-1-oxobutoxy]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-[(2-chlorobenzoyl)amino]-4-methylsulfanylbutanoyl]oxyacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[2-[(2-chlorobenzoyl)amino]-4-(methylthio)butanoyl]oxyacetyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H28ClN3O6S MolecularWeight: 485.98152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)COC(=O)C(CCSC)NC(=O)C2=CC=CC=C2Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)COC(=O)C(CCSC)NC(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C21H28ClN3O6S/c1-3-30-21(29)25-11-9-24(10-12-25)18(26)14-31-20(28)17(8-13-32-2)23-19(27)15-6-4-5-7-16(15)22/h4-7,17H,3,8-14H2,1-2H3,(H,23,27)