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

Systemtic Name: methyl 4-[[2-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-(3-ethyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[(3-ethyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[(3-ethyl-4-keto-quinazolin-2-yl)thio]acetyl]amino]methyl]benzoic acid methyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H21N3O4S/c1-3-24-19(26)16-6-4-5-7-17(16)23-21(24)29-13-18(25)22-12-14-8-10-15(11-9-14)20(27)28-2/h4-11H,3,12-13H2,1-2H3,(H,22,25)