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

Systemtic Name: methyl 2-[(2Z)-6-nitro-2-thiophen-2-ylsulfonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[(2Z)-6-nitro-2-(2-thienylsulfonylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[(2Z)-6-nitro-2-thiophen-2-ylsulfonylimino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[(2Z)-6-nitro-2-thiophen-2-ylsulfonylimino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[(2Z)-6-nitro-2-(2-thienylsulfonylimino)-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C14H11N3O6S3 MolecularWeight: 413.44864

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NS(=O)(=O)C3=CC=CS3

Isomeric SMILES

COC(=O)CN\1C2=C(C=C(C=C2)[N+](=O)[O-])S/C1=N\S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C14H11N3O6S3/c1-23-12(18)8-16-10-5-4-9(17(19)20)7-11(10)25-14(16)15-26(21,22)13-3-2-6-24-13/h2-7H,8H2,1H3/b15-14-