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

Systemtic Name: ethyl 2-[2-(1,3-benzothiazol-6-ylcarbonylimino)-6-chloranyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(1,3-benzothiazole-6-carbonylimino)-6-chloro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[1,3-benzothiazol-6-yl(oxo)methyl]imino-6-chloro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(1,3-benzothiazole-6-carbonylimino)-6-chloro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(1,3-benzothiazole-6-carbonylimino)-6-chloro-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C19H14ClN3O3S2 MolecularWeight: 431.91576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H14ClN3O3S2/c1-2-26-17(24)9-23-14-6-4-12(20)8-16(14)28-19(23)22-18(25)11-3-5-13-15(7-11)27-10-21-13/h3-8,10H,2,9H2,1H3