[(3E)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxidanylidene-propyl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate

Systemtic Name: [(3E)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxidanylidene-propyl] 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate Openeye Name: [(3E)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxo-propyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [(3E)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [(3E)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxopropyl] 2-(1,3-benzoxazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid [(3E)-3-cyano-2-keto-3-(3-methyl-1,3-benzothiazol-2-ylidene)propyl] ester Formula: C21H15N3O4S2 MolecularWeight: 437.4915

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=C(C#N)C(=O)COC(=O)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

CN\1C2=CC=CC=C2S/C1=C(\C#N)/C(=O)COC(=O)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H15N3O4S2/c1-24-15-7-3-5-9-18(15)30-20(24)13(10-22)16(25)11-27-19(26)12-29-21-23-14-6-2-4-8-17(14)28-21/h2-9H,11-12H2,1H3/b20-13+