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

Systemtic Name: methyl 2-[2-[(4-methoxy-3-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: methyl 2-[2-(4-methoxy-3-morpholinosulfonyl-anilino)-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-[4-methoxy-3-(4-morpholinylsulfonyl)anilino]-2-oxoethyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-keto-2-(4-methoxy-3-morpholinosulfonyl-anilino)ethyl]thio]acetic acid methyl ester Formula: C16H22N2O7S2 MolecularWeight: 418.48508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSCC(=O)OC)S(=O)(=O)N2CCOCC2

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSCC(=O)OC)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C16H22N2O7S2/c1-23-13-4-3-12(17-15(19)10-26-11-16(20)24-2)9-14(13)27(21,22)18-5-7-25-8-6-18/h3-4,9H,5-8,10-11H2,1-2H3,(H,17,19)