methyl 4-oxidanylidene-2-(2-oxidanylidenepropylsulfanyl)-3-[(2R)-2-oxidanylpropyl]quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-2-(2-oxidanylidenepropylsulfanyl)-3-[(2R)-2-oxidanylpropyl]quinazoline-7-carboxylate Openeye Name: methyl 2-acetonylsulfanyl-3-[(2R)-2-hydroxypropyl]-4-oxo-quinazoline-7-carboxylate CAS Name: 3-[(2R)-2-hydroxypropyl]-4-oxo-2-(2-oxopropylthio)-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2R)-2-hydroxypropyl]-4-oxo-2-(2-oxopropylsulfanyl)quinazoline-7-carboxylate Traditional Name: 2-(acetonylthio)-3-[(2R)-2-hydroxypropyl]-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C16H18N2O5S MolecularWeight: 350.38952

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC(=O)C)O

Isomeric SMILES

C[C@H](CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC(=O)C)O

InChI

InChI=1S/C16H18N2O5S/c1-9(19)7-18-14(21)12-5-4-11(15(22)23-3)6-13(12)17-16(18)24-8-10(2)20/h4-6,9,19H,7-8H2,1-3H3/t9-/m1/s1