3-[[2-(4-hydroxyphenyl)-3-[(4-methoxyphenyl)methoxy]-3-oxidanylidene-propanoyl]amino]-3-methoxy-2-oxidanylidene-azetidine-1-sulfonic acid

Systemtic Name: 3-[[2-(4-hydroxyphenyl)-3-[(4-methoxyphenyl)methoxy]-3-oxidanylidene-propanoyl]amino]-3-methoxy-2-oxidanylidene-azetidine-1-sulfonic acid Openeye Name: 3-[[2-(4-hydroxyphenyl)-3-[(4-methoxyphenyl)methoxy]-3-oxo-propanoyl]amino]-3-methoxy-2-oxo-azetidine-1-sulfonic acid CAS Name: 3-[[2-(4-hydroxyphenyl)-3-[(4-methoxyphenyl)methoxy]-1,3-dioxopropyl]amino]-3-methoxy-2-oxo-1-azetidinesulfonic acid IUPAC Name: 3-[[2-(4-hydroxyphenyl)-3-[(4-methoxyphenyl)methoxy]-3-oxopropanoyl]amino]-3-methoxy-2-oxoazetidine-1-sulfonic acid Traditional Name: 3-[[2-(4-hydroxyphenyl)-3-keto-3-p-anisyloxy-propanoyl]amino]-2-keto-3-methoxy-azetidine-1-sulfonic acid Formula: C21H22N2O10S MolecularWeight: 494.47178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COC(=O)C(C2=CC=C(C=C2)O)C(=O)NC3(CN(C3=O)S(=O)(=O)O)OC

Isomeric SMILES

COC1=CC=C(C=C1)COC(=O)C(C2=CC=C(C=C2)O)C(=O)NC3(CN(C3=O)S(=O)(=O)O)OC

InChI

InChI=1S/C21H22N2O10S/c1-31-16-9-3-13(4-10-16)11-33-19(26)17(14-5-7-15(24)8-6-14)18(25)22-21(32-2)12-23(20(21)27)34(28,29)30/h3-10,17,24H,11-12H2,1-2H3,(H,22,25)(H,28,29,30)