2-[[1-methoxy-1-oxidanylidene-4-(phenylmethylsulfanyl)butan-2-yl]-(4-methoxyphenyl)sulfonyl-amino]ethanoic acid

Systemtic Name: 2-[[1-methoxy-1-oxidanylidene-4-(phenylmethylsulfanyl)butan-2-yl]-(4-methoxyphenyl)sulfonyl-amino]ethanoic acid Openeye Name: 2-[(3-benzylsulfanyl-1-methoxycarbonyl-propyl)-(4-methoxyphenyl)sulfonyl-amino]acetic acid CAS Name: 2-[[1-methoxy-1-oxo-4-(phenylmethylthio)butan-2-yl]-(4-methoxyphenyl)sulfonylamino]acetic acid IUPAC Name: 2-[(4-benzylsulfanyl-1-methoxy-1-oxobutan-2-yl)-(4-methoxyphenyl)sulfonylamino]acetic acid Traditional Name: 2-[[3-(benzylthio)-1-carbomethoxy-propyl]-(4-methoxyphenyl)sulfonyl-amino]acetic acid Formula: C21H25NO7S2 MolecularWeight: 467.5557

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)O)C(CCSCC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)O)C(CCSCC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C21H25NO7S2/c1-28-17-8-10-18(11-9-17)31(26,27)22(14-20(23)24)19(21(25)29-2)12-13-30-15-16-6-4-3-5-7-16/h3-11,19H,12-15H2,1-2H3,(H,23,24)