methyl 4-[[4-(2-oxidanylidenechromen-3-yl)-1,3-thiazol-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[4-(2-oxidanylidenechromen-3-yl)-1,3-thiazol-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[4-(2-oxochromen-3-yl)thiazol-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[4-(2-oxo-1-benzopyran-3-yl)-2-thiazolyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[4-(2-ketochromen-3-yl)thiazol-2-yl]thio]methyl]benzoic acid methyl ester Formula: C21H15NO4S2 MolecularWeight: 409.4781

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C21H15NO4S2/c1-25-19(23)14-8-6-13(7-9-14)11-27-21-22-17(12-28-21)16-10-15-4-2-3-5-18(15)26-20(16)24/h2-10,12H,11H2,1H3