S-(1,3-benzothiazol-2-yl) (2Z)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-cyclohexyloxyimino-ethanethioate

Systemtic Name: S-(1,3-benzothiazol-2-yl) (2Z)-2-(5-azanyl-1,2,4-thiadiazol-3-yl)-2-cyclohexyloxyimino-ethanethioate Openeye Name: S-(1,3-benzothiazol-2-yl) (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(cyclohexoxyimino)ethanethioate CAS Name: (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-cyclohexyloxyiminoethanethioic acid S-(1,3-benzothiazol-2-yl) ester IUPAC Name: S-(1,3-benzothiazol-2-yl) (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-cyclohexyloxyiminoethanethioate Traditional Name: (2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-cyclohexyloximino-ethanethioic acid S-(1,3-benzothiazol-2-yl) ester Formula: C17H17N5O2S3 MolecularWeight: 419.54418

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)ON=C(C2=NSC(=N2)N)C(=O)SC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCC(CC1)O/N=C(/C2=NSC(=N2)N)\C(=O)SC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H17N5O2S3/c18-16-20-14(22-27-16)13(21-24-10-6-2-1-3-7-10)15(23)26-17-19-11-8-4-5-9-12(11)25-17/h4-5,8-10H,1-3,6-7H2,(H2,18,20,22)/b21-13-