[2-[[4-(diethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfanyl-benzoate

Systemtic Name: [2-[[4-(diethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfanyl-benzoate Openeye Name: [2-[4-(diethylcarbamoyl)anilino]-2-oxo-ethyl] 2-chloro-5-methylsulfanyl-benzoate CAS Name: 2-chloro-5-(methylthio)benzoic acid [2-[4-[diethylamino(oxo)methyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 2-chloro-5-methylsulfanylbenzoate Traditional Name: 2-chloro-5-(methylthio)benzoic acid [2-[4-(diethylcarbamoyl)anilino]-2-keto-ethyl] ester Formula: C21H23ClN2O4S MolecularWeight: 434.93632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)SC)Cl

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)SC)Cl

InChI

InChI=1S/C21H23ClN2O4S/c1-4-24(5-2)20(26)14-6-8-15(9-7-14)23-19(25)13-28-21(27)17-12-16(29-3)10-11-18(17)22/h6-12H,4-5,13H2,1-3H3,(H,23,25)