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

Systemtic Name: methyl 2-[2-(1,3-benzothiazol-2-ylcarbonylimino)-4-fluoranyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(1,3-benzothiazole-2-carbonylimino)-4-fluoro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[1,3-benzothiazol-2-yl(oxo)methyl]imino-4-fluoro-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(1,3-benzothiazole-2-carbonylimino)-4-fluoro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(1,3-benzothiazole-2-carbonylimino)-4-fluoro-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C18H12FN3O3S2 MolecularWeight: 401.434583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12FN3O3S2/c1-25-14(23)9-22-15-10(19)5-4-8-13(15)27-18(22)21-16(24)17-20-11-6-2-3-7-12(11)26-17/h2-8H,9H2,1H3