[3-(4-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]methyl-[(2R)-1-methoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [3-(4-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]methyl-[(2R)-1-methoxy-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [3-(4-ethoxyphenyl)-4-oxo-quinazolin-2-yl]methyl-[(1R)-1-methoxycarbonyl-3-methylsulfanyl-propyl]ammonium CAS Name: [3-(4-ethoxyphenyl)-4-oxo-2-quinazolinyl]methyl-[(2R)-1-methoxy-4-(methylthio)-1-oxobutan-2-yl]ammonium IUPAC Name: [3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]methyl-[(2R)-1-methoxy-4-methylsulfanyl-1-oxobutan-2-yl]azanium Traditional Name: [(1R)-1-carbomethoxy-3-(methylthio)propyl]-[(4-keto-3-p-phenetyl-quinazolin-2-yl)methyl]ammonium Formula: C23H28N3O4S+ MolecularWeight: 442.55112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)C[NH2+]C(CCSC)C(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)C[NH2+][C@H](CCSC)C(=O)OC

InChI

InChI=1S/C23H27N3O4S/c1-4-30-17-11-9-16(10-12-17)26-21(15-24-20(13-14-31-3)23(28)29-2)25-19-8-6-5-7-18(19)22(26)27/h5-12,20,24H,4,13-15H2,1-3H3/p+1/t20-/m1/s1