methyl 2-methoxy-5-[[6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanoylamino]methyl]benzoate

Systemtic Name: methyl 2-methoxy-5-[[6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanoylamino]methyl]benzoate Openeye Name: methyl 2-methoxy-5-[[6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanoylamino]methyl]benzoate CAS Name: 2-methoxy-5-[[[1-oxo-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-methoxy-5-[[6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanoylamino]methyl]benzoate Traditional Name: 5-[[6-(4-keto-2-thioxo-1H-quinazolin-3-yl)hexanoylamino]methyl]-2-methoxy-benzoic acid methyl ester Formula: C24H27N3O5S MolecularWeight: 469.55328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S)C(=O)OC

InChI

InChI=1S/C24H27N3O5S/c1-31-20-12-11-16(14-18(20)23(30)32-2)15-25-21(28)10-4-3-7-13-27-22(29)17-8-5-6-9-19(17)26-24(27)33/h5-6,8-9,11-12,14H,3-4,7,10,13,15H2,1-2H3,(H,25,28)(H,26,33)