butyl (2Z)-2-(3-butyl-1,3-benzothiazol-2-ylidene)-2-cyano-ethanoate

Systemtic Name: butyl (2Z)-2-(3-butyl-1,3-benzothiazol-2-ylidene)-2-cyano-ethanoate Openeye Name: butyl (2Z)-2-(3-butyl-1,3-benzothiazol-2-ylidene)-2-cyano-acetate CAS Name: (2Z)-2-(3-butyl-1,3-benzothiazol-2-ylidene)-2-cyanoacetic acid butyl ester IUPAC Name: butyl (2Z)-2-(3-butyl-1,3-benzothiazol-2-ylidene)-2-cyanoacetate Traditional Name: (2Z)-2-(3-butyl-1,3-benzothiazol-2-ylidene)-2-cyano-acetic acid butyl ester Formula: C18H22N2O2S MolecularWeight: 330.44448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2SC1=C(C#N)C(=O)OCCCC

Isomeric SMILES

CCCCN\1C2=CC=CC=C2S/C1=C(/C#N)\C(=O)OCCCC

InChI

InChI=1S/C18H22N2O2S/c1-3-5-11-20-15-9-7-8-10-16(15)23-17(20)14(13-19)18(21)22-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3/b17-14-