methyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylimino)-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylimino)-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-(2,3-dihydro-1,4-benzodioxine-6-carbonylimino)-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(2,3-dihydro-1,4-benzodioxine-6-carbonylimino)-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-carbonylimino)-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C20H18N2O5S MolecularWeight: 398.43232

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C2=CC=CC=C2SC1=NC(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

COC(=O)CCN1C2=CC=CC=C2SC1=NC(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H18N2O5S/c1-25-18(23)8-9-22-14-4-2-3-5-17(14)28-20(22)21-19(24)13-6-7-15-16(12-13)27-11-10-26-15/h2-7,12H,8-11H2,1H3