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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2SC)S(=O)(=O)N3CCOCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2SC)S(=O)(=O)N3CCOCC3

InChI

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