ethyl 4-[[2-[(3-methyl-2-oxidanylidene-1,3-benzoxazol-6-yl)sulfonylamino]-4-methylsulfanyl-butanoyl]amino]benzoate

Systemtic Name: ethyl 4-[[2-[(3-methyl-2-oxidanylidene-1,3-benzoxazol-6-yl)sulfonylamino]-4-methylsulfanyl-butanoyl]amino]benzoate Openeye Name: ethyl 4-[[2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-4-methylsulfanyl-butanoyl]amino]benzoate CAS Name: 4-[[2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-4-(methylthio)-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-4-methylsulfanylbutanoyl]amino]benzoate Traditional Name: 4-[[2-[(2-keto-3-methyl-1,3-benzoxazol-6-yl)sulfonylamino]-4-(methylthio)butanoyl]amino]benzoic acid ethyl ester Formula: C22H25N3O7S2 MolecularWeight: 507.5798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(CCSC)NS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(CCSC)NS(=O)(=O)C2=CC3=C(C=C2)N(C(=O)O3)C

InChI

InChI=1S/C22H25N3O7S2/c1-4-31-21(27)14-5-7-15(8-6-14)23-20(26)17(11-12-33-3)24-34(29,30)16-9-10-18-19(13-16)32-22(28)25(18)2/h5-10,13,17,24H,4,11-12H2,1-3H3,(H,23,26)