diethyl 5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-prop-2-ynyl-carbamoyl]benzene-1,3-dicarboxylate

Systemtic Name: diethyl 5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-prop-2-ynyl-carbamoyl]benzene-1,3-dicarboxylate Openeye Name: diethyl 5-[(3,5-dimethylisoxazol-4-yl)sulfonyl-prop-2-ynyl-carbamoyl]benzene-1,3-dicarboxylate CAS Name: 5-[[(3,5-dimethyl-4-isoxazolyl)sulfonyl-prop-2-ynylamino]-oxomethyl]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-prop-2-ynylcarbamoyl]benzene-1,3-dicarboxylate Traditional Name: 5-[(3,5-dimethylisoxazol-4-yl)sulfonyl-propargyl-carbamoyl]benzene-1,3-dicarboxylic acid diethyl ester Formula: C21H22N2O8S MolecularWeight: 462.47298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)N(CC#C)S(=O)(=O)C2=C(ON=C2C)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)N(CC#C)S(=O)(=O)C2=C(ON=C2C)C)C(=O)OCC

InChI

InChI=1S/C21H22N2O8S/c1-6-9-23(32(27,28)18-13(4)22-31-14(18)5)19(24)15-10-16(20(25)29-7-2)12-17(11-15)21(26)30-8-3/h1,10-12H,7-9H2,2-5H3