methyl 5-[(4-chlorophenyl)carbonylamino]-4-dimorpholin-4-ylphosphinothioyl-thiophene-2-carboxylate

Systemtic Name: methyl 5-[(4-chlorophenyl)carbonylamino]-4-dimorpholin-4-ylphosphinothioyl-thiophene-2-carboxylate Openeye Name: methyl 5-[(4-chlorobenzoyl)amino]-4-dimorpholinophosphinothioyl-thiophene-2-carboxylate CAS Name: 4-[bis(4-morpholinyl)phosphinothioyl]-5-[[(4-chlorophenyl)-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[(4-chlorobenzoyl)amino]-4-dimorpholin-4-ylphosphinothioylthiophene-2-carboxylate Traditional Name: 5-[(4-chlorobenzoyl)amino]-4-dimorpholinothiophosphoryl-thiophene-2-carboxylic acid methyl ester Formula: C21H25ClN3O5PS2 MolecularWeight: 529.997061

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(S1)NC(=O)C2=CC=C(C=C2)Cl)P(=S)(N3CCOCC3)N4CCOCC4

Isomeric SMILES

COC(=O)C1=CC(=C(S1)NC(=O)C2=CC=C(C=C2)Cl)P(=S)(N3CCOCC3)N4CCOCC4

InChI

InChI=1S/C21H25ClN3O5PS2/c1-28-21(27)18-14-17(20(33-18)23-19(26)15-2-4-16(22)5-3-15)31(32,24-6-10-29-11-7-24)25-8-12-30-13-9-25/h2-5,14H,6-13H2,1H3,(H,23,26)