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

Systemtic Name: methyl 4-[2-[3-(4-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[3-(4-ethoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[3-(4-ethoxyphenyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(4-keto-3-p-phenetyl-quinazolin-2-yl)thio]acetyl]amino]benzoic acid methyl ester 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=CC=C(C=C4)C(=O)OC

Isomeric SMILES

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

InChI

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