[[3-cyano-4-[1-[methyl(oxidanyl)amino]-1-oxidanylidene-propan-2-yl]oxy-phenyl]amino] 2-methoxy-5-methyl-benzenesulfinate

Systemtic Name: [[3-cyano-4-[1-[methyl(oxidanyl)amino]-1-oxidanylidene-propan-2-yl]oxy-phenyl]amino] 2-methoxy-5-methyl-benzenesulfinate Openeye Name: [3-cyano-4-[2-[hydroxy(methyl)amino]-1-methyl-2-oxo-ethoxy]anilino] 2-methoxy-5-methyl-benzenesulfinate CAS Name: 2-methoxy-5-methylbenzenesulfinic acid [3-cyano-4-[1-[hydroxy(methyl)amino]-1-oxopropan-2-yl]oxyanilino] ester IUPAC Name: [3-cyano-4-[1-[hydroxy(methyl)amino]-1-oxopropan-2-yl]oxyanilino] 2-methoxy-5-methylbenzenesulfinate Traditional Name: 2-methoxy-5-methyl-benzenesulfinic acid [3-cyano-4-[2-[hydroxy(methyl)amino]-2-keto-1-methyl-ethoxy]anilino] ester Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)S(=O)ONC2=CC(=C(C=C2)OC(C)C(=O)N(C)O)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)OC)S(=O)ONC2=CC(=C(C=C2)OC(C)C(=O)N(C)O)C#N

InChI

InChI=1S/C19H21N3O6S/c1-12-5-7-17(26-4)18(9-12)29(25)28-21-15-6-8-16(14(10-15)11-20)27-13(2)19(23)22(3)24/h5-10,13,21,24H,1-4H3