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

Systemtic Name: methyl 3-[2-(1,3-benzothiazol-6-ylcarbonylimino)-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-(1,3-benzothiazole-6-carbonylimino)-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[1,3-benzothiazol-6-yl(oxo)methyl]imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(1,3-benzothiazole-6-carbonylimino)-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(1,3-benzothiazole-6-carbonylimino)-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C19H15N3O3S2 MolecularWeight: 397.4707

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C2=CC=CC=C2SC1=NC(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

COC(=O)CCN1C2=CC=CC=C2SC1=NC(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C19H15N3O3S2/c1-25-17(23)8-9-22-14-4-2-3-5-15(14)27-19(22)21-18(24)12-6-7-13-16(10-12)26-11-20-13/h2-7,10-11H,8-9H2,1H3