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

Systemtic Name: methyl 2-[2-(1,3-benzothiazol-6-ylcarbonylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(1,3-benzothiazole-6-carbonylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[1,3-benzothiazol-6-yl(oxo)methyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(1,3-benzothiazole-6-carbonylimino)-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(1,3-benzothiazole-6-carbonylimino)-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C18H13N3O3S2 MolecularWeight: 383.44412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13N3O3S2/c1-24-16(22)9-21-13-4-2-3-5-14(13)26-18(21)20-17(23)11-6-7-12-15(8-11)25-10-19-12/h2-8,10H,9H2,1H3