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

Systemtic Name: ethyl 2-[6-acetamido-2-(1,3-benzothiazol-6-ylcarbonylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-acetamido-2-(1,3-benzothiazole-6-carbonylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-acetamido-2-[1,3-benzothiazol-6-yl(oxo)methyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-acetamido-2-(1,3-benzothiazole-6-carbonylimino)-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-acetamido-2-(1,3-benzothiazole-6-carbonylimino)-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C21H18N4O4S2 MolecularWeight: 454.52202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O4S2/c1-3-29-19(27)10-25-16-7-5-14(23-12(2)26)9-18(16)31-21(25)24-20(28)13-4-6-15-17(8-13)30-11-22-15/h4-9,11H,3,10H2,1-2H3,(H,23,26)