ethyl 2-[6-ethyl-2-(oxolan-2-ylcarbonylimino)-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[6-ethyl-2-(oxolan-2-ylcarbonylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-ethyl-2-(tetrahydrofuran-2-carbonylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-ethyl-2-[oxo(2-oxolanyl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-ethyl-2-(oxolane-2-carbonylimino)-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-ethyl-2-(tetrahydrofuran-2-carbonylimino)-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=NC(=O)C3CCCO3)S2)CC(=O)OCC

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=NC(=O)C3CCCO3)S2)CC(=O)OCC

InChI

InChI=1S/C18H22N2O4S/c1-3-12-7-8-13-15(10-12)25-18(20(13)11-16(21)23-4-2)19-17(22)14-6-5-9-24-14/h7-8,10,14H,3-6,9,11H2,1-2H3