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

Systemtic Name: ethyl 2-[2-(1,3-benzothiazol-2-ylcarbonylimino)-4-methyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(1,3-benzothiazole-2-carbonylimino)-4-methyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[1,3-benzothiazol-2-yl(oxo)methyl]imino-4-methyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(1,3-benzothiazole-2-carbonylimino)-4-methyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(1,3-benzothiazole-2-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=NC4=CC=CC=C4S3)C

Isomeric SMILES

CCOC(=O)CN1C2=C(C=CC=C2SC1=NC(=O)C3=NC4=CC=CC=C4S3)C

InChI

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