ethyl 4-[5-(2-oxidanylidenechromen-3-yl)-2-sulfanylidene-1H-imidazol-3-yl]benzoate

Systemtic Name: ethyl 4-[5-(2-oxidanylidenechromen-3-yl)-2-sulfanylidene-1H-imidazol-3-yl]benzoate Openeye Name: ethyl 4-[5-(2-oxochromen-3-yl)-2-thioxo-1H-imidazol-3-yl]benzoate CAS Name: 4-[5-(2-oxo-1-benzopyran-3-yl)-2-sulfanylidene-1H-imidazol-3-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5-(2-oxochromen-3-yl)-2-sulfanylidene-1H-imidazol-3-yl]benzoate Traditional Name: 4-[4-(2-ketochromen-3-yl)-2-thioxo-4-imidazolin-1-yl]benzoic acid ethyl ester Formula: C21H16N2O4S MolecularWeight: 392.42774

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C=C(NC2=S)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C=C(NC2=S)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C21H16N2O4S/c1-2-26-19(24)13-7-9-15(10-8-13)23-12-17(22-21(23)28)16-11-14-5-3-4-6-18(14)27-20(16)25/h3-12H,2H2,1H3,(H,22,28)