methyl 4-oxidanylidene-2-(2-oxidanylidene-2-propan-2-yloxy-ethyl)sulfanyl-3-[(2S)-2-oxidanylpropyl]quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-2-(2-oxidanylidene-2-propan-2-yloxy-ethyl)sulfanyl-3-[(2S)-2-oxidanylpropyl]quinazoline-7-carboxylate Openeye Name: methyl 3-[(2S)-2-hydroxypropyl]-2-(2-isopropoxy-2-oxo-ethyl)sulfanyl-4-oxo-quinazoline-7-carboxylate CAS Name: 3-[(2S)-2-hydroxypropyl]-4-oxo-2-[(2-oxo-2-propan-2-yloxyethyl)thio]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2S)-2-hydroxypropyl]-4-oxo-2-(2-oxo-2-propan-2-yloxyethyl)sulfanylquinazoline-7-carboxylate Traditional Name: 3-[(2S)-2-hydroxypropyl]-2-[(2-isopropoxy-2-keto-ethyl)thio]-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C18H22N2O6S MolecularWeight: 394.44208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CC(C)O

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O6S/c1-10(2)26-15(22)9-27-18-19-14-7-12(17(24)25-4)5-6-13(14)16(23)20(18)8-11(3)21/h5-7,10-11,21H,8-9H2,1-4H3/t11-/m0/s1