(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl 4-[(2-methylthiazol-4-yl)methylsulfanyl]benzoate CAS Name: 4-[(2-methyl-4-thiazolyl)methylthio]benzoic acid (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Traditional Name: 4-[(2-methylthiazol-4-yl)methylthio]benzoic acid (2-keto-7-methoxy-chromen-4-yl)methyl ester Formula: C23H19NO5S2 MolecularWeight: 453.53066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CSC2=CC=C(C=C2)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)OC

Isomeric SMILES

CC1=NC(=CS1)CSC2=CC=C(C=C2)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)OC

InChI

InChI=1S/C23H19NO5S2/c1-14-24-17(12-30-14)13-31-19-6-3-15(4-7-19)23(26)28-11-16-9-22(25)29-21-10-18(27-2)5-8-20(16)21/h3-10,12H,11,13H2,1-2H3