diethyl 2-[3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanoylamino]propanedioate

Systemtic Name: diethyl 2-[3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanoylamino]propanedioate Openeye Name: diethyl 2-[3-(2-thioxo-1,3-benzoxazol-3-yl)propanoylamino]propanedioate CAS Name: 2-[[1-oxo-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propyl]amino]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanoylamino]propanedioate Traditional Name: 2-[3-(2-thioxo-1,3-benzoxazol-3-yl)propanoylamino]malonic acid diethyl ester Formula: C17H20N2O6S MolecularWeight: 380.4155

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)NC(=O)CCN1C2=CC=CC=C2OC1=S

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)NC(=O)CCN1C2=CC=CC=C2OC1=S

InChI

InChI=1S/C17H20N2O6S/c1-3-23-15(21)14(16(22)24-4-2)18-13(20)9-10-19-11-7-5-6-8-12(11)25-17(19)26/h5-8,14H,3-4,9-10H2,1-2H3,(H,18,20)