(Z)-2-(1,3-benzothiazol-2-yl)-2-cyano-1-[(6-methoxy-6-oxidanylidene-hexyl)amino]ethenethiolate

Systemtic Name: (Z)-2-(1,3-benzothiazol-2-yl)-2-cyano-1-[(6-methoxy-6-oxidanylidene-hexyl)amino]ethenethiolate Openeye Name: (Z)-2-(1,3-benzothiazol-2-yl)-2-cyano-1-[(6-methoxy-6-oxo-hexyl)amino]ethenethiolate CAS Name: (Z)-2-(1,3-benzothiazol-2-yl)-2-cyano-1-[(6-methoxy-6-oxohexyl)amino]ethenethiolate IUPAC Name: (Z)-2-(1,3-benzothiazol-2-yl)-2-cyano-1-[(6-methoxy-6-oxohexyl)amino]ethenethiolate Traditional Name: (Z)-2-(1,3-benzothiazol-2-yl)-2-cyano-1-[(6-keto-6-methoxy-hexyl)amino]ethenethiolate Formula: C17H18N3O2S2- MolecularWeight: 360.47372

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=C(C#N)C1=NC2=CC=CC=C2S1)[S-]

Isomeric SMILES

COC(=O)CCCCCN/C(=C(\C#N)/C1=NC2=CC=CC=C2S1)/[S-]

InChI

InChI=1S/C17H19N3O2S2/c1-22-15(21)9-3-2-6-10-19-16(23)12(11-18)17-20-13-7-4-5-8-14(13)24-17/h4-5,7-8,19,23H,2-3,6,9-10H2,1H3/p-1/b16-12-