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

Systemtic Name: ethyl 2-[(2Z)-2-(5-chloranylthiophen-2-yl)sulfonylimino-6-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[(2Z)-2-[(5-chloro-2-thienyl)sulfonylimino]-6-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[(2Z)-2-[(5-chloro-2-thiophenyl)sulfonylimino]-6-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2Z)-2-(5-chlorothiophen-2-yl)sulfonylimino-6-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[(2Z)-2-[(5-chloro-2-thienyl)sulfonylimino]-6-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C15H12ClN3O6S3 MolecularWeight: 461.92028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NS(=O)(=O)C3=CC=C(S3)Cl

Isomeric SMILES

CCOC(=O)CN\1C2=C(C=C(C=C2)[N+](=O)[O-])S/C1=N\S(=O)(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C15H12ClN3O6S3/c1-2-25-13(20)8-18-10-4-3-9(19(21)22)7-11(10)26-15(18)17-28(23,24)14-6-5-12(16)27-14/h3-7H,2,8H2,1H3/b17-15-