ethyl 2-[(2Z)-6-ethoxy-2-thiophen-2-ylsulfonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[(2Z)-6-ethoxy-2-thiophen-2-ylsulfonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[(2Z)-6-ethoxy-2-(2-thienylsulfonylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[(2Z)-6-ethoxy-2-thiophen-2-ylsulfonylimino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2Z)-6-ethoxy-2-thiophen-2-ylsulfonylimino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[(2Z)-6-ethoxy-2-(2-thienylsulfonylimino)-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C17H18N2O5S3 MolecularWeight: 426.53022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NS(=O)(=O)C3=CC=CS3)S2)CC(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(/C(=N/S(=O)(=O)C3=CC=CS3)/S2)CC(=O)OCC

InChI

InChI=1S/C17H18N2O5S3/c1-3-23-12-7-8-13-14(10-12)26-17(19(13)11-15(20)24-4-2)18-27(21,22)16-6-5-9-25-16/h5-10H,3-4,11H2,1-2H3/b18-17-