2-[4-[2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoylamino]phenyl]quinoline-4-carboxylic acid

Systemtic Name: 2-[4-[2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoylamino]phenyl]quinoline-4-carboxylic acid Openeye Name: 2-[4-[[2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]phenyl]quinoline-4-carboxylic acid CAS Name: 2-[4-[[1-oxo-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]ethyl]amino]phenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[4-[[2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetyl]amino]phenyl]quinoline-4-carboxylic acid Traditional Name: 2-[4-[[2-[(3-allyl-4-keto-quinazolin-2-yl)thio]acetyl]amino]phenyl]cinchoninic acid Formula: C29H22N4O4S MolecularWeight: 522.57438

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5C(=C4)C(=O)O

Isomeric SMILES

C=CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5C(=C4)C(=O)O

InChI

InChI=1S/C29H22N4O4S/c1-2-15-33-27(35)21-8-4-6-10-24(21)32-29(33)38-17-26(34)30-19-13-11-18(12-14-19)25-16-22(28(36)37)20-7-3-5-9-23(20)31-25/h2-14,16H,1,15,17H2,(H,30,34)(H,36,37)