2-[[5-[[3-[[3-(carboxymethylamino)-5-methyl-4-oxidanyl-phenyl]methyl]-1,1-bis(oxidanylidene)-2,1$l^{6}-benzoxathiol-3-yl]methyl]-3-methyl-2-oxidanyl-phenyl]amino]ethanoic acid

Systemtic Name: 2-[[5-[[3-[[3-(carboxymethylamino)-5-methyl-4-oxidanyl-phenyl]methyl]-1,1-bis(oxidanylidene)-2,1$l^{6}-benzoxathiol-3-yl]methyl]-3-methyl-2-oxidanyl-phenyl]amino]ethanoic acid Openeye Name: 2-[5-[[3-[[3-(carboxymethylamino)-4-hydroxy-5-methyl-phenyl]methyl]-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]methyl]-2-hydroxy-3-methyl-anilino]acetic acid CAS Name: 2-[5-[[3-[[3-(carboxymethylamino)-4-hydroxy-5-methylphenyl]methyl]-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]methyl]-2-hydroxy-3-methylanilino]acetic acid IUPAC Name: 2-[5-[[3-[[3-(carboxymethylamino)-4-hydroxy-5-methylphenyl]methyl]-1,1-dioxo-2,1$l^{6}-benzoxathiol-3-yl]methyl]-2-hydroxy-3-methylanilino]acetic acid Traditional Name: 2-[5-[[3-[3-(carboxymethylamino)-4-hydroxy-5-methyl-benzyl]-1,1-diketo-2,1$l^{6}-benzoxathiol-3-yl]methyl]-2-hydroxy-3-methyl-anilino]acetic acid Formula: C27H28N2O9S MolecularWeight: 556.58422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)CC2(C3=CC=CC=C3S(=O)(=O)O2)CC4=CC(=C(C(=C4)NCC(=O)O)O)C)NCC(=O)O)O

Isomeric SMILES

CC1=C(C(=CC(=C1)CC2(C3=CC=CC=C3S(=O)(=O)O2)CC4=CC(=C(C(=C4)NCC(=O)O)O)C)NCC(=O)O)O

InChI

InChI=1S/C27H28N2O9S/c1-15-7-17(9-20(25(15)34)28-13-23(30)31)11-27(19-5-3-4-6-22(19)39(36,37)38-27)12-18-8-16(2)26(35)21(10-18)29-14-24(32)33/h3-10,28-29,34-35H,11-14H2,1-2H3,(H,30,31)(H,32,33)