diethyl 2-acetamido-2-[(3-cyano-5-thiophen-2-yl-1,2-oxazol-4-yl)methyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[(3-cyano-5-thiophen-2-yl-1,2-oxazol-4-yl)methyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[[3-cyano-5-(2-thienyl)isoxazol-4-yl]methyl]propanedioate CAS Name: 2-acetamido-2-[(3-cyano-5-thiophen-2-yl-4-isoxazolyl)methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[(3-cyano-5-thiophen-2-yl-1,2-oxazol-4-yl)methyl]propanedioate Traditional Name: 2-acetamido-2-[[3-cyano-5-(2-thienyl)isoxazol-4-yl]methyl]malonic acid diethyl ester Formula: C18H19N3O6S MolecularWeight: 405.42496

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=C(ON=C1C#N)C2=CC=CS2)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CC1=C(ON=C1C#N)C2=CC=CS2)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C18H19N3O6S/c1-4-25-16(23)18(20-11(3)22,17(24)26-5-2)9-12-13(10-19)21-27-15(12)14-7-6-8-28-14/h6-8H,4-5,9H2,1-3H3,(H,20,22)