methyl 3-[2-(cyclohexen-1-yl)ethyl]-4-oxidanylidene-2-phenacylsulfanyl-quinazoline-7-carboxylate

Systemtic Name: methyl 3-[2-(cyclohexen-1-yl)ethyl]-4-oxidanylidene-2-phenacylsulfanyl-quinazoline-7-carboxylate Openeye Name: methyl 3-[2-(cyclohexen-1-yl)ethyl]-4-oxo-2-phenacylsulfanyl-quinazoline-7-carboxylate CAS Name: 3-[2-(1-cyclohexenyl)ethyl]-4-oxo-2-(phenacylthio)-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-[2-(cyclohexen-1-yl)ethyl]-4-oxo-2-phenacylsulfanylquinazoline-7-carboxylate Traditional Name: 3-[2-(cyclohexen-1-yl)ethyl]-4-keto-2-(phenacylthio)quinazoline-7-carboxylic acid methyl ester Formula: C26H26N2O4S MolecularWeight: 462.56064

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)C3=CC=CC=C3)CCC4=CCCCC4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)C3=CC=CC=C3)CCC4=CCCCC4

InChI

InChI=1S/C26H26N2O4S/c1-32-25(31)20-12-13-21-22(16-20)27-26(33-17-23(29)19-10-6-3-7-11-19)28(24(21)30)15-14-18-8-4-2-5-9-18/h3,6-8,10-13,16H,2,4-5,9,14-15,17H2,1H3