3-[2-[3-(4-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[2-[3-(4-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]-4-methyl-benzoic acid Openeye Name: 3-[[2-[3-(4-ethoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]-4-methyl-benzoic acid CAS Name: 3-[[2-[[3-(4-ethoxyphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[[2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]-4-methylbenzoic acid Traditional Name: 3-[[2-[(4-keto-3-p-phenetyl-quinazolin-2-yl)thio]acetyl]amino]-4-methyl-benzoic acid Formula: C26H23N3O5S MolecularWeight: 489.54292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=CC(=C4)C(=O)O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=CC(=C4)C(=O)O)C

InChI

InChI=1S/C26H23N3O5S/c1-3-34-19-12-10-18(11-13-19)29-24(31)20-6-4-5-7-21(20)28-26(29)35-15-23(30)27-22-14-17(25(32)33)9-8-16(22)2/h4-14H,3,15H2,1-2H3,(H,27,30)(H,32,33)