ethyl 2-[1,3-benzothiazol-5-yl(thian-4-ylcarbonyl)amino]ethanoate

Systemtic Name: ethyl 2-[1,3-benzothiazol-5-yl(thian-4-ylcarbonyl)amino]ethanoate Openeye Name: ethyl 2-[1,3-benzothiazol-5-yl(tetrahydrothiopyran-4-carbonyl)amino]acetate CAS Name: 2-[1,3-benzothiazol-5-yl-[oxo(4-thianyl)methyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[1,3-benzothiazol-5-yl(thiane-4-carbonyl)amino]acetate Traditional Name: 2-[1,3-benzothiazol-5-yl(tetrahydrothiopyran-4-carbonyl)amino]acetic acid ethyl ester Formula: C17H20N2O3S2 MolecularWeight: 364.4823

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C1=CC2=C(C=C1)SC=N2)C(=O)C3CCSCC3

Isomeric SMILES

CCOC(=O)CN(C1=CC2=C(C=C1)SC=N2)C(=O)C3CCSCC3

InChI

InChI=1S/C17H20N2O3S2/c1-2-22-16(20)10-19(17(21)12-5-7-23-8-6-12)13-3-4-15-14(9-13)18-11-24-15/h3-4,9,11-12H,2,5-8,10H2,1H3