ethyl 2-[(2Z)-2-(5-chloranylthiophen-2-yl)sulfonylimino-6-ethoxy-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[(2Z)-2-(5-chloranylthiophen-2-yl)sulfonylimino-6-ethoxy-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[(2Z)-2-[(5-chloro-2-thienyl)sulfonylimino]-6-ethoxy-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[(2Z)-2-[(5-chloro-2-thiophenyl)sulfonylimino]-6-ethoxy-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2Z)-2-(5-chlorothiophen-2-yl)sulfonylimino-6-ethoxy-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[(2Z)-2-[(5-chloro-2-thienyl)sulfonylimino]-6-ethoxy-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C17H17ClN2O5S3 MolecularWeight: 460.97528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NS(=O)(=O)C3=CC=C(S3)Cl)S2)CC(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(/C(=N/S(=O)(=O)C3=CC=C(S3)Cl)/S2)CC(=O)OCC

InChI

InChI=1S/C17H17ClN2O5S3/c1-3-24-11-5-6-12-13(9-11)26-17(20(12)10-15(21)25-4-2)19-28(22,23)16-8-7-14(18)27-16/h5-9H,3-4,10H2,1-2H3/b19-17-