ethyl 2-(6-acetamido-2-cyclohexylcarbonylimino-1,3-benzothiazol-3-yl)ethanoate

Systemtic Name: ethyl 2-(6-acetamido-2-cyclohexylcarbonylimino-1,3-benzothiazol-3-yl)ethanoate Openeye Name: ethyl 2-[6-acetamido-2-(cyclohexanecarbonylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-acetamido-2-[cyclohexyl(oxo)methyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-acetamido-2-(cyclohexanecarbonylimino)-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-acetamido-2-(cyclohexanecarbonylimino)-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)NC(=O)C)SC1=NC(=O)C3CCCCC3

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)NC(=O)C)SC1=NC(=O)C3CCCCC3

InChI

InChI=1S/C20H25N3O4S/c1-3-27-18(25)12-23-16-10-9-15(21-13(2)24)11-17(16)28-20(23)22-19(26)14-7-5-4-6-8-14/h9-11,14H,3-8,12H2,1-2H3,(H,21,24)