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

Systemtic Name: ethyl 2-[2-(1,3-benzothiazol-2-ylcarbonylimino)-6-ethoxy-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(1,3-benzothiazole-2-carbonylimino)-6-ethoxy-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[1,3-benzothiazol-2-yl(oxo)methyl]imino-6-ethoxy-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(1,3-benzothiazole-2-carbonylimino)-6-ethoxy-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(1,3-benzothiazole-2-carbonylimino)-6-ethoxy-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C21H19N3O4S2 MolecularWeight: 441.52326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=NC4=CC=CC=C4S3)S2)CC(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=NC(=O)C3=NC4=CC=CC=C4S3)S2)CC(=O)OCC

InChI

InChI=1S/C21H19N3O4S2/c1-3-27-13-9-10-15-17(11-13)30-21(24(15)12-18(25)28-4-2)23-19(26)20-22-14-7-5-6-8-16(14)29-20/h5-11H,3-4,12H2,1-2H3