ethyl 2-[(2Z)-5,6-dimethyl-2-thiophen-2-ylsulfonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[(2Z)-5,6-dimethyl-2-thiophen-2-ylsulfonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[(2Z)-5,6-dimethyl-2-(2-thienylsulfonylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[(2Z)-5,6-dimethyl-2-thiophen-2-ylsulfonylimino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2Z)-5,6-dimethyl-2-thiophen-2-ylsulfonylimino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[(2Z)-5,6-dimethyl-2-(2-thienylsulfonylimino)-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C17H18N2O4S3 MolecularWeight: 410.53082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O4S3/c1-4-23-15(20)10-19-13-8-11(2)12(3)9-14(13)25-17(19)18-26(21,22)16-6-5-7-24-16/h5-9H,4,10H2,1-3H3/b18-17-