ethyl 4-fluoranyl-3-[(4-sulfanylidene-1H-quinazolin-2-yl)sulfanylmethyl]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 4-fluoranyl-3-[(4-sulfanylidene-1H-quinazolin-2-yl)sulfanylmethyl]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 4-fluoro-3-[(4-thioxo-1H-quinazolin-2-yl)sulfanylmethyl]benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-[[(4-sulfanylidene-1H-quinazolin-2-yl)thio]methyl]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-fluoro-3-[(4-sulfanylidene-1H-quinazolin-2-yl)sulfanylmethyl]-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-[[(4-thioxo-1H-quinazolin-2-yl)thio]methyl]benzothiophene-2-carboxylic acid ethyl ester Formula: C20H15FN2O2S3 MolecularWeight: 430.538703

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CSC3=NC(=S)C4=CC=CC=C4N3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=CC=C2S1)F)CSC3=NC(=S)C4=CC=CC=C4N3

InChI

InChI=1S/C20H15FN2O2S3/c1-2-25-19(24)17-12(16-13(21)7-5-9-15(16)28-17)10-27-20-22-14-8-4-3-6-11(14)18(26)23-20/h3-9H,2,10H2,1H3,(H,22,23,26)