[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 4-methylsulfanyl-2-[(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)amino]butanoate

Systemtic Name: [2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 4-methylsulfanyl-2-[(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)amino]butanoate Openeye Name: [2-(2-furylmethylamino)-2-oxo-ethyl] 4-methylsulfanyl-2-(4-morpholinosulfonyl-2-nitro-anilino)butanoate CAS Name: 4-(methylthio)-2-[4-(4-morpholinylsulfonyl)-2-nitroanilino]butanoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-methylsulfanyl-2-(4-morpholin-4-ylsulfonyl-2-nitroanilino)butanoate Traditional Name: 4-(methylthio)-2-(4-morpholinosulfonyl-2-nitro-anilino)butyric acid [2-(2-furfurylamino)-2-keto-ethyl] ester Formula: C22H28N4O9S2 MolecularWeight: 556.60912

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)NCC1=CC=CO1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CSCCC(C(=O)OCC(=O)NCC1=CC=CO1)NC2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O9S2/c1-36-12-6-19(22(28)35-15-21(27)23-14-16-3-2-9-34-16)24-18-5-4-17(13-20(18)26(29)30)37(31,32)25-7-10-33-11-8-25/h2-5,9,13,19,24H,6-8,10-12,14-15H2,1H3,(H,23,27)