methyl 6-[[2-(1,3-benzothiazol-2-yl)-2-cyano-ethanethioyl]amino]hexanoate

Systemtic Name: methyl 6-[[2-(1,3-benzothiazol-2-yl)-2-cyano-ethanethioyl]amino]hexanoate Openeye Name: methyl 6-[[2-(1,3-benzothiazol-2-yl)-2-cyano-ethanethioyl]amino]hexanoate CAS Name: 6-[[2-(1,3-benzothiazol-2-yl)-2-cyano-1-sulfanylideneethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[2-(1,3-benzothiazol-2-yl)-2-cyanoethanethioyl]amino]hexanoate Traditional Name: 6-[[2-(1,3-benzothiazol-2-yl)-2-cyano-thioacetyl]amino]hexanoic acid methyl ester Formula: C17H19N3O2S2 MolecularWeight: 361.48166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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/h4-5,7-8,12H,2-3,6,9-10H2,1H3,(H,19,23)