methyl 2-[[3-(4-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[[3-(4-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[3-(4-ethoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[[3-(4-ethoxyphenyl)-4-oxo-2-quinazolinyl]thio]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[[(4-keto-3-p-phenetyl-quinazolin-2-yl)thio]methyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C27H22N4O5S MolecularWeight: 514.55238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=NC(=O)C5=C(N4)C=C(C=C5)C(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=NC(=O)C5=C(N4)C=C(C=C5)C(=O)OC

InChI

InChI=1S/C27H22N4O5S/c1-3-36-18-11-9-17(10-12-18)31-25(33)20-6-4-5-7-21(20)29-27(31)37-15-23-28-22-14-16(26(34)35-2)8-13-19(22)24(32)30-23/h4-14H,3,15H2,1-2H3,(H,28,30,32)