methyl 3-[2-(4-oxidanylidenechromen-3-yl)carbonylimino-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[2-(4-oxidanylidenechromen-3-yl)carbonylimino-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-(4-oxochromene-3-carbonyl)imino-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[oxo-(4-oxo-1-benzopyran-3-yl)methyl]imino-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(4-oxochromene-3-carbonyl)imino-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(4-ketochromene-3-carbonyl)imino-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C21H16N2O5S MolecularWeight: 408.42714

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C2=CC=CC=C2SC1=NC(=O)C3=COC4=CC=CC=C4C3=O

Isomeric SMILES

COC(=O)CCN1C2=CC=CC=C2SC1=NC(=O)C3=COC4=CC=CC=C4C3=O

InChI

InChI=1S/C21H16N2O5S/c1-27-18(24)10-11-23-15-7-3-5-9-17(15)29-21(23)22-20(26)14-12-28-16-8-4-2-6-13(16)19(14)25/h2-9,12H,10-11H2,1H3