ethyl 2-[2-(1,3-benzothiazol-6-ylcarbonylimino)-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-(1,3-benzothiazol-6-ylcarbonylimino)-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(1,3-benzothiazole-6-carbonylimino)-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[1,3-benzothiazol-6-yl(oxo)methyl]imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(1,3-benzothiazole-6-carbonylimino)-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(1,3-benzothiazole-6-carbonylimino)-6-mesyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C20H17N3O5S3 MolecularWeight: 475.56108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C20H17N3O5S3/c1-3-28-18(24)10-23-15-7-5-13(31(2,26)27)9-17(15)30-20(23)22-19(25)12-4-6-14-16(8-12)29-11-21-14/h4-9,11H,3,10H2,1-2H3