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

Systemtic Name: methyl 4-[[2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-(3-methyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[(3-methyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[(4-keto-3-methyl-quinazolin-2-yl)thio]acetyl]amino]methyl]benzoic acid methyl ester Formula: C20H19N3O4S MolecularWeight: 397.44756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H19N3O4S/c1-23-18(25)15-5-3-4-6-16(15)22-20(23)28-12-17(24)21-11-13-7-9-14(10-8-13)19(26)27-2/h3-10H,11-12H2,1-2H3,(H,21,24)