ethyl (2Z)-3-(2-ethoxy-2-oxidanylidene-ethyl)-2-thiophen-2-ylsulfonylimino-1,3-benzothiazole-6-carboxylate

Systemtic Name: ethyl (2Z)-3-(2-ethoxy-2-oxidanylidene-ethyl)-2-thiophen-2-ylsulfonylimino-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl (2Z)-3-(2-ethoxy-2-oxo-ethyl)-2-(2-thienylsulfonylimino)-1,3-benzothiazole-6-carboxylate CAS Name: (2Z)-3-(2-ethoxy-2-oxoethyl)-2-thiophen-2-ylsulfonylimino-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl (2Z)-3-(2-ethoxy-2-oxoethyl)-2-thiophen-2-ylsulfonylimino-1,3-benzothiazole-6-carboxylate Traditional Name: (2Z)-3-(2-ethoxy-2-keto-ethyl)-2-(2-thienylsulfonylimino)-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C18H18N2O6S3 MolecularWeight: 454.54032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)C(=O)OCC)SC1=NS(=O)(=O)C3=CC=CS3

Isomeric SMILES

CCOC(=O)CN\1C2=C(C=C(C=C2)C(=O)OCC)S/C1=N\S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C18H18N2O6S3/c1-3-25-15(21)11-20-13-8-7-12(17(22)26-4-2)10-14(13)28-18(20)19-29(23,24)16-6-5-9-27-16/h5-10H,3-4,11H2,1-2H3/b19-18-