ethyl 3-[2-(ethoxycarbonylamino)-4,5-dimethoxy-phenyl]-2-methylsulfonyl-3-oxidanylidene-propanoate

Systemtic Name: ethyl 3-[2-(ethoxycarbonylamino)-4,5-dimethoxy-phenyl]-2-methylsulfonyl-3-oxidanylidene-propanoate Openeye Name: ethyl 3-[2-(ethoxycarbonylamino)-4,5-dimethoxy-phenyl]-2-methylsulfonyl-3-oxo-propanoate CAS Name: 3-[2-(ethoxycarbonylamino)-4,5-dimethoxyphenyl]-2-methylsulfonyl-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-[2-(ethoxycarbonylamino)-4,5-dimethoxyphenyl]-2-methylsulfonyl-3-oxopropanoate Traditional Name: 3-[2-(carbethoxyamino)-4,5-dimethoxy-phenyl]-3-keto-2-mesyl-propionic acid ethyl ester Formula: C17H23NO9S MolecularWeight: 417.43082

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)C1=CC(=C(C=C1NC(=O)OCC)OC)OC)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C(C(=O)C1=CC(=C(C=C1NC(=O)OCC)OC)OC)S(=O)(=O)C

InChI

InChI=1S/C17H23NO9S/c1-6-26-16(20)15(28(5,22)23)14(19)10-8-12(24-3)13(25-4)9-11(10)18-17(21)27-7-2/h8-9,15H,6-7H2,1-5H3,(H,18,21)