methyl 2-[3-[6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanoylamino]phenoxy]ethanoate

Systemtic Name: methyl 2-[3-[6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanoylamino]phenoxy]ethanoate Openeye Name: methyl 2-[3-[6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanoylamino]phenoxy]acetate CAS Name: 2-[3-[[1-oxo-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexyl]amino]phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[3-[6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanoylamino]phenoxy]acetate Traditional Name: 2-[3-[6-(4-keto-2-thioxo-1H-quinazolin-3-yl)hexanoylamino]phenoxy]acetic acid methyl ester Formula: C23H25N3O5S MolecularWeight: 455.5267

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC1=CC=CC(=C1)NC(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

COC(=O)COC1=CC=CC(=C1)NC(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C23H25N3O5S/c1-30-21(28)15-31-17-9-7-8-16(14-17)24-20(27)12-3-2-6-13-26-22(29)18-10-4-5-11-19(18)25-23(26)32/h4-5,7-11,14H,2-3,6,12-13,15H2,1H3,(H,24,27)(H,25,32)