[4-[[(cyanoamino)-phenoxy-methylidene]amino]-2-(dimethoxymethyl)-2-methyl-3-oxidanyl-3,4-dihydrochromen-6-yl] methanesulfonate

Systemtic Name: [4-[[(cyanoamino)-phenoxy-methylidene]amino]-2-(dimethoxymethyl)-2-methyl-3-oxidanyl-3,4-dihydrochromen-6-yl] methanesulfonate Openeye Name: [4-[[(cyanoamino)-phenoxy-methylene]amino]-2-(dimethoxymethyl)-3-hydroxy-2-methyl-chroman-6-yl] methanesulfonate CAS Name: methanesulfonic acid [4-[[(cyanoamino)-phenoxymethylidene]amino]-2-(dimethoxymethyl)-3-hydroxy-2-methyl-3,4-dihydro-2H-1-benzopyran-6-yl] ester IUPAC Name: [4-[[(cyanoamino)-phenoxymethylidene]amino]-2-(dimethoxymethyl)-3-hydroxy-2-methyl-3,4-dihydrochromen-6-yl] methanesulfonate Traditional Name: methanesulfonic acid [4-[[(cyanoamino)-phenoxy-methylene]amino]-2-(dimethoxymethyl)-3-hydroxy-2-methyl-chroman-6-yl] ester Formula: C22H25N3O8S MolecularWeight: 491.5142

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)N=C(NC#N)OC3=CC=CC=C3)O)C(OC)OC

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)N=C(NC#N)OC3=CC=CC=C3)O)C(OC)OC

InChI

InChI=1S/C22H25N3O8S/c1-22(20(29-2)30-3)19(26)18(25-21(24-13-23)31-14-8-6-5-7-9-14)16-12-15(33-34(4,27)28)10-11-17(16)32-22/h5-12,18-20,26H,1-4H3,(H,24,25)