(7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: (7-bromanyl-2-oxidanylidene-chromen-4-yl)methyl 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: (7-bromo-2-oxo-chromen-4-yl)methyl 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid (7-bromo-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-bromo-2-oxochromen-4-yl)methyl 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid (7-bromo-2-keto-chromen-4-yl)methyl ester Formula: C20H14BrNO4S MolecularWeight: 444.29846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCC(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCC(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)Br

InChI

InChI=1S/C20H14BrNO4S/c21-13-5-6-14-12(9-20(24)26-16(14)10-13)11-25-19(23)8-7-18-22-15-3-1-2-4-17(15)27-18/h1-6,9-10H,7-8,11H2