2-methoxy-5-[[2-(4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanylethanoylamino]methyl]benzoic acid

Systemtic Name: 2-methoxy-5-[[2-(4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanylethanoylamino]methyl]benzoic acid Openeye Name: 2-methoxy-5-[[[2-(4-oxo-3-propyl-quinazolin-2-yl)sulfanylacetyl]amino]methyl]benzoic acid CAS Name: 2-methoxy-5-[[[1-oxo-2-[(4-oxo-3-propyl-2-quinazolinyl)thio]ethyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[[2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetyl]amino]methyl]benzoic acid Traditional Name: 5-[[[2-[(4-keto-3-propyl-quinazolin-2-yl)thio]acetyl]amino]methyl]-2-methoxy-benzoic acid Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCC3=CC(=C(C=C3)OC)C(=O)O

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NCC3=CC(=C(C=C3)OC)C(=O)O

InChI

InChI=1S/C22H23N3O5S/c1-3-10-25-20(27)15-6-4-5-7-17(15)24-22(25)31-13-19(26)23-12-14-8-9-18(30-2)16(11-14)21(28)29/h4-9,11H,3,10,12-13H2,1-2H3,(H,23,26)(H,28,29)