4-(4H-3,1-benzothiazin-2-ylsulfanyl)-2-ethanimidoyl-3-oxidanylidene-butanenitrile

Systemtic Name: 4-(4H-3,1-benzothiazin-2-ylsulfanyl)-2-ethanimidoyl-3-oxidanylidene-butanenitrile Openeye Name: 4-(4H-3,1-benzothiazin-2-ylsulfanyl)-2-ethanimidoyl-3-oxo-butanenitrile CAS Name: 4-(4H-3,1-benzothiazin-2-ylthio)-2-(1-iminoethyl)-3-oxobutanenitrile IUPAC Name: 4-(4H-3,1-benzothiazin-2-ylsulfanyl)-2-ethanimidoyl-3-oxobutanenitrile Traditional Name: 2-acetimidoyl-4-(4H-3,1-benzothiazin-2-ylthio)-3-keto-butyronitrile Formula: C14H13N3OS2 MolecularWeight: 303.40252

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)CSC1=NC2=CC=CC=C2CS1

Isomeric SMILES

CC(=N)C(C#N)C(=O)CSC1=NC2=CC=CC=C2CS1

InChI

InChI=1S/C14H13N3OS2/c1-9(16)11(6-15)13(18)8-20-14-17-12-5-3-2-4-10(12)7-19-14/h2-5,11,16H,7-8H2,1H3