(phenylmethyl) 2-[3-(1,3-benzothiazol-2-yl)-2-oxidanylidene-chromen-7-yl]oxyethanoate

Systemtic Name: (phenylmethyl) 2-[3-(1,3-benzothiazol-2-yl)-2-oxidanylidene-chromen-7-yl]oxyethanoate Openeye Name: benzyl 2-[3-(1,3-benzothiazol-2-yl)-2-oxo-chromen-7-yl]oxyacetate CAS Name: 2-[[3-(1,3-benzothiazol-2-yl)-2-oxo-1-benzopyran-7-yl]oxy]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-(1,3-benzothiazol-2-yl)-2-oxochromen-7-yl]oxyacetate Traditional Name: 2-[3-(1,3-benzothiazol-2-yl)-2-keto-chromen-7-yl]oxyacetic acid benzyl ester Formula: C25H17NO5S MolecularWeight: 443.47118

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)COC2=CC3=C(C=C2)C=C(C(=O)O3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)COC2=CC3=C(C=C2)C=C(C(=O)O3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H17NO5S/c27-23(30-14-16-6-2-1-3-7-16)15-29-18-11-10-17-12-19(25(28)31-21(17)13-18)24-26-20-8-4-5-9-22(20)32-24/h1-13H,14-15H2