(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate CAS Name: 4-(1,3-benzothiazol-2-ylthio)butanoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-ylthio)butyric acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C17H17N3O3S2 MolecularWeight: 375.46518

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)CCCSC1=NC2=CC=CC=C2S1

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)CCCSC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C17H17N3O3S2/c1-11(19)12(9-18)14(21)10-23-16(22)7-4-8-24-17-20-13-5-2-3-6-15(13)25-17/h2-3,5-6,12,19H,4,7-8,10H2,1H3