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

Systemtic Name: 2-methoxy-5-[[2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoylamino]methyl]benzoic acid Openeye Name: 5-[[[2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]methyl]-2-methoxy-benzoic acid CAS Name: 2-methoxy-5-[[[1-oxo-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]ethyl]amino]methyl]benzoic acid IUPAC Name: 2-methoxy-5-[[[2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetyl]amino]methyl]benzoic acid Traditional Name: 5-[[[2-[(3-allyl-4-keto-quinazolin-2-yl)thio]acetyl]amino]methyl]-2-methoxy-benzoic acid Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC=C)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC=C)C(=O)O

InChI

InChI=1S/C22H21N3O5S/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/h3-9,11H,1,10,12-13H2,2H3,(H,23,26)(H,28,29)