methyl 3-[2-[3-(3-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 3-[2-[3-(3-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 3-[[2-[3-(3-methoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 3-[[2-[[3-(3-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[[4-keto-3-(3-methoxyphenyl)quinazolin-2-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C25H21N3O5S MolecularWeight: 475.51634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=CC(=C4)C(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=CC(=C4)C(=O)OC

InChI

InChI=1S/C25H21N3O5S/c1-32-19-10-6-9-18(14-19)28-23(30)20-11-3-4-12-21(20)27-25(28)34-15-22(29)26-17-8-5-7-16(13-17)24(31)33-2/h3-14H,15H2,1-2H3,(H,26,29)