(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-(1,3-benzoxazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-(1,3-benzoxazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C15H13N3O4S MolecularWeight: 331.34642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)CSC1=NC2=CC=CC=C2O1

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)CSC1=NC2=CC=CC=C2O1

InChI

InChI=1S/C15H13N3O4S/c1-9(17)10(6-16)12(19)7-21-14(20)8-23-15-18-11-4-2-3-5-13(11)22-15/h2-5,10,17H,7-8H2,1H3