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

Systemtic Name: methyl 2-[2-(1,3-benzothiazol-2-ylcarbonylimino)-6-ethoxy-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H17N3O4S2 MolecularWeight: 427.49668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O4S2/c1-3-27-12-8-9-14-16(10-12)29-20(23(14)11-17(24)26-2)22-18(25)19-21-13-6-4-5-7-15(13)28-19/h4-10H,3,11H2,1-2H3