methyl 3-[2-[(2-methoxy-4-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-[(2-methoxy-4-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-(2-methoxy-4-morpholinosulfonyl-anilino)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-[2-methoxy-4-(4-morpholinylsulfonyl)anilino]-2-oxoethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(2-methoxy-4-morpholin-4-ylsulfonylanilino)-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-keto-2-(2-methoxy-4-morpholinosulfonyl-anilino)ethyl]thio]propionic acid methyl ester Formula: C17H24N2O7S2 MolecularWeight: 432.51166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)NC(=O)CSCCC(=O)OC

Isomeric SMILES

COC1=C(C=CC(=C1)S(=O)(=O)N2CCOCC2)NC(=O)CSCCC(=O)OC

InChI

InChI=1S/C17H24N2O7S2/c1-24-15-11-13(28(22,23)19-6-8-26-9-7-19)3-4-14(15)18-16(20)12-27-10-5-17(21)25-2/h3-4,11H,5-10,12H2,1-2H3,(H,18,20)