ethyl 4-oxidanylidene-2-phenacylsulfanyl-3-(phenylmethyl)quinazoline-7-carboxylate

Systemtic Name: ethyl 4-oxidanylidene-2-phenacylsulfanyl-3-(phenylmethyl)quinazoline-7-carboxylate Openeye Name: ethyl 3-benzyl-4-oxo-2-phenacylsulfanyl-quinazoline-7-carboxylate CAS Name: 4-oxo-2-(phenacylthio)-3-(phenylmethyl)-7-quinazolinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzyl-4-oxo-2-phenacylsulfanylquinazoline-7-carboxylate Traditional Name: 3-benzyl-4-keto-2-(phenacylthio)quinazoline-7-carboxylic acid ethyl ester Formula: C26H22N2O4S MolecularWeight: 458.52888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H22N2O4S/c1-2-32-25(31)20-13-14-21-22(15-20)27-26(33-17-23(29)19-11-7-4-8-12-19)28(24(21)30)16-18-9-5-3-6-10-18/h3-15H,2,16-17H2,1H3