ethyl 3-[2-(3,4-dimethyl-5-oxidanylidene-1,2,4-triazol-1-yl)ethoxy]-2-methyl-4-methylsulfonyl-benzoate

Systemtic Name: ethyl 3-[2-(3,4-dimethyl-5-oxidanylidene-1,2,4-triazol-1-yl)ethoxy]-2-methyl-4-methylsulfonyl-benzoate Openeye Name: ethyl 3-[2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)ethoxy]-2-methyl-4-methylsulfonyl-benzoate CAS Name: 3-[2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)ethoxy]-2-methyl-4-methylsulfonylbenzoic acid ethyl ester IUPAC Name: ethyl 3-[2-(3,4-dimethyl-5-oxo-1,2,4-triazol-1-yl)ethoxy]-2-methyl-4-methylsulfonylbenzoate Traditional Name: 3-[2-(5-keto-3,4-dimethyl-1,2,4-triazol-1-yl)ethoxy]-4-mesyl-2-methyl-benzoic acid ethyl ester Formula: C17H23N3O6S MolecularWeight: 397.44602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(C=C1)S(=O)(=O)C)OCCN2C(=O)N(C(=N2)C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(C=C1)S(=O)(=O)C)OCCN2C(=O)N(C(=N2)C)C)C

InChI

InChI=1S/C17H23N3O6S/c1-6-25-16(21)13-7-8-14(27(5,23)24)15(11(13)2)26-10-9-20-17(22)19(4)12(3)18-20/h7-8H,6,9-10H2,1-5H3