(E)-3-azanyl-2-[2-(4H-3,1-benzothiazin-2-ylsulfanyl)ethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-(4H-3,1-benzothiazin-2-ylsulfanyl)ethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-(4H-3,1-benzothiazin-2-ylsulfanyl)acetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[2-(4H-3,1-benzothiazin-2-ylthio)-1-oxoethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-(4H-3,1-benzothiazin-2-ylsulfanyl)acetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-(4H-3,1-benzothiazin-2-ylthio)acetyl]but-2-enenitrile Formula: C14H13N3OS2 MolecularWeight: 303.40252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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/h2-5H,7-8,16H2,1H3/b11-9+