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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=C(C=C3)N=CS4)S2)CC(=O)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=NC(=O)C3=CC4=C(C=C3)N=CS4)S2)CC(=O)OC

InChI

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