ethyl 2-[(2Z)-6-ethyl-2-(4-methoxyphenyl)sulfonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[(2Z)-6-ethyl-2-(4-methoxyphenyl)sulfonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[(2Z)-6-ethyl-2-(4-methoxyphenyl)sulfonylimino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[(2Z)-6-ethyl-2-(4-methoxyphenyl)sulfonylimino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2Z)-6-ethyl-2-(4-methoxyphenyl)sulfonylimino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[(2Z)-6-ethyl-2-(4-methoxyphenyl)sulfonylimino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C20H22N2O5S2 MolecularWeight: 434.52908

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=NS(=O)(=O)C3=CC=C(C=C3)OC)S2)CC(=O)OCC

Isomeric SMILES

CCC1=CC2=C(C=C1)N(/C(=N/S(=O)(=O)C3=CC=C(C=C3)OC)/S2)CC(=O)OCC

InChI

InChI=1S/C20H22N2O5S2/c1-4-14-6-11-17-18(12-14)28-20(22(17)13-19(23)27-5-2)21-29(24,25)16-9-7-15(26-3)8-10-16/h6-12H,4-5,13H2,1-3H3/b21-20-