[1-[(3-morpholin-4-ylsulfonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: [1-[(3-morpholin-4-ylsulfonylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: [1-methyl-2-(3-morpholinosulfonylanilino)-2-oxo-ethyl] 4-(5-methyl-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-methyl-2-thiophenyl)-4-oxobutanoic acid [1-[3-(4-morpholinylsulfonyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] 4-(5-methylthiophen-2-yl)-4-oxobutanoate Traditional Name: 4-keto-4-(5-methyl-2-thienyl)butyric acid [2-keto-1-methyl-2-(3-morpholinosulfonylanilino)ethyl] ester Formula: C22H26N2O7S2 MolecularWeight: 494.58104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)OC(C)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)OC(C)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

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