S-[(3R)-3-(1,3-benzoxazol-2-yl)-3-cyano-2-oxidanylidene-propyl] ethanethioate

Systemtic Name: S-[(3R)-3-(1,3-benzoxazol-2-yl)-3-cyano-2-oxidanylidene-propyl] ethanethioate Openeye Name: S-[(3R)-3-(1,3-benzoxazol-2-yl)-3-cyano-2-oxo-propyl] ethanethioate CAS Name: ethanethioic acid S-[(3R)-3-(1,3-benzoxazol-2-yl)-3-cyano-2-oxopropyl] ester IUPAC Name: S-[(3R)-3-(1,3-benzoxazol-2-yl)-3-cyano-2-oxopropyl] ethanethioate Traditional Name: ethanethioic acid S-[(3R)-3-(1,3-benzoxazol-2-yl)-3-cyano-2-keto-propyl] ester Formula: C13H10N2O3S MolecularWeight: 274.2951

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)C(C#N)C1=NC2=CC=CC=C2O1

Isomeric SMILES

CC(=O)SCC(=O)[C@H](C#N)C1=NC2=CC=CC=C2O1

InChI

InChI=1S/C13H10N2O3S/c1-8(16)19-7-11(17)9(6-14)13-15-10-4-2-3-5-12(10)18-13/h2-5,9H,7H2,1H3/t9-/m0/s1