methyl 2-(2-methylsulfanylethylsulfanyl)-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxylate

Systemtic Name: methyl 2-(2-methylsulfanylethylsulfanyl)-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxylate Openeye Name: methyl 2-(2-methylsulfanylethylsulfanyl)-4-oxo-3-phenethyl-quinazoline-7-carboxylate CAS Name: 2-[2-(methylthio)ethylthio]-4-oxo-3-phenethyl-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(2-methylsulfanylethylsulfanyl)-4-oxo-3-phenethylquinazoline-7-carboxylate Traditional Name: 4-keto-2-[2-(methylthio)ethylthio]-3-phenethyl-quinazoline-7-carboxylic acid methyl ester Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCCSC)CCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCCSC)CCC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O3S2/c1-26-20(25)16-8-9-17-18(14-16)22-21(28-13-12-27-2)23(19(17)24)11-10-15-6-4-3-5-7-15/h3-9,14H,10-13H2,1-2H3