[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 4-methoxy-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 4-methoxy-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] 4-methoxy-3-morpholinosulfonyl-benzoate CAS Name: 4-methoxy-3-(4-morpholinylsulfonyl)benzoic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-morpholinosulfonyl-benzoic acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C21H24N2O7S2 MolecularWeight: 480.55446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)SC)S(=O)(=O)N3CCOCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)SC)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H24N2O7S2/c1-28-18-7-6-15(12-19(18)32(26,27)23-8-10-29-11-9-23)21(25)30-14-20(24)22-16-4-3-5-17(13-16)31-2/h3-7,12-13H,8-11,14H2,1-2H3,(H,22,24)