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

Systemtic Name: methyl 3-[2-(1,3-benzothiazol-2-ylcarbonylimino)-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-(1,3-benzothiazole-2-carbonylimino)-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[1,3-benzothiazol-2-yl(oxo)methyl]imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(1,3-benzothiazole-2-carbonylimino)-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(1,3-benzothiazole-2-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=NC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)CCN1C2=CC=CC=C2SC1=NC(=O)C3=NC4=CC=CC=C4S3

InChI

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