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

Systemtic Name: ethyl 2-[6-acetamido-2-(1,3-benzothiazol-2-ylcarbonylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-acetamido-2-(1,3-benzothiazole-2-carbonylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-acetamido-2-[1,3-benzothiazol-2-yl(oxo)methyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-acetamido-2-(1,3-benzothiazole-2-carbonylimino)-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-acetamido-2-(1,3-benzothiazole-2-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=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)NC(=O)C)SC1=NC(=O)C3=NC4=CC=CC=C4S3

InChI

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