[2-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: [2-(4-methyl-3-morpholinosulfonyl-anilino)-2-oxo-ethyl] 4-(5-methyl-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-methyl-2-thiophenyl)-4-oxobutanoic acid [2-[4-methyl-3-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-(5-methylthiophen-2-yl)-4-oxobutanoate Traditional Name: 4-keto-4-(5-methyl-2-thienyl)butyric acid [2-keto-2-(4-methyl-3-morpholinosulfonyl-anilino)ethyl] ester Formula: C22H26N2O7S2 MolecularWeight: 494.58104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)CCC(=O)C2=CC=C(S2)C)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)CCC(=O)C2=CC=C(S2)C)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C22H26N2O7S2/c1-15-3-5-17(13-20(15)33(28,29)24-9-11-30-12-10-24)23-21(26)14-31-22(27)8-6-18(25)19-7-4-16(2)32-19/h3-5,7,13H,6,8-12,14H2,1-2H3,(H,23,26)