ethyl 2-[2-[3-(4-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]ethanoate

Systemtic Name: ethyl 2-[2-[3-(4-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]ethanoate Openeye Name: ethyl 2-[[2-[3-(4-methoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]acetate CAS Name: 2-[[2-[[3-(4-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]acetate Traditional Name: 2-[[2-[[4-keto-3-(4-methoxyphenyl)quinazolin-2-yl]thio]acetyl]amino]acetic acid ethyl ester Formula: C21H21N3O5S MolecularWeight: 427.47354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)CNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H21N3O5S/c1-3-29-19(26)12-22-18(25)13-30-21-23-17-7-5-4-6-16(17)20(27)24(21)14-8-10-15(28-2)11-9-14/h4-11H,3,12-13H2,1-2H3,(H,22,25)