ethyl 2-[2-(1,3-benzothiazol-6-ylcarbonylimino)-4-methyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-(1,3-benzothiazol-6-ylcarbonylimino)-4-methyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(1,3-benzothiazole-6-carbonylimino)-4-methyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[1,3-benzothiazol-6-yl(oxo)methyl]imino-4-methyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(1,3-benzothiazole-6-carbonylimino)-4-methyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(1,3-benzothiazole-6-carbonylimino)-4-methyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C20H17N3O3S2 MolecularWeight: 411.49728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=CC=C2SC1=NC(=O)C3=CC4=C(C=C3)N=CS4)C

Isomeric SMILES

CCOC(=O)CN1C2=C(C=CC=C2SC1=NC(=O)C3=CC4=C(C=C3)N=CS4)C

InChI

InChI=1S/C20H17N3O3S2/c1-3-26-17(24)10-23-18-12(2)5-4-6-15(18)28-20(23)22-19(25)13-7-8-14-16(9-13)27-11-21-14/h4-9,11H,3,10H2,1-2H3