(3-oxidanylidenebenzo[f]chromen-1-yl)methyl 4-(1,3-benzothiazol-2-yl)butanoate

Systemtic Name: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: (3-oxobenzo[f]chromen-1-yl)methyl 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid (3-oxo-1-benzo[f][1]benzopyranyl)methyl ester IUPAC Name: (3-oxobenzo[f]chromen-1-yl)methyl 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid (3-ketobenzo[f]chromen-1-yl)methyl ester Formula: C25H19NO4S MolecularWeight: 429.48766

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2C(=CC(=O)O3)COC(=O)CCCC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2C(=CC(=O)O3)COC(=O)CCCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H19NO4S/c27-23(11-5-10-22-26-19-8-3-4-9-21(19)31-22)29-15-17-14-24(28)30-20-13-12-16-6-1-2-7-18(16)25(17)20/h1-4,6-9,12-14H,5,10-11,15H2