methyl 2-(2-methylpropylsulfanyl)-4-oxidanylidene-3-[(2S)-2-oxidanylpropyl]quinazoline-7-carboxylate

Systemtic Name: methyl 2-(2-methylpropylsulfanyl)-4-oxidanylidene-3-[(2S)-2-oxidanylpropyl]quinazoline-7-carboxylate Openeye Name: methyl 3-[(2S)-2-hydroxypropyl]-2-isobutylsulfanyl-4-oxo-quinazoline-7-carboxylate CAS Name: 3-[(2S)-2-hydroxypropyl]-2-(2-methylpropylthio)-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2S)-2-hydroxypropyl]-2-(2-methylpropylsulfanyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 3-[(2S)-2-hydroxypropyl]-2-(isobutylthio)-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)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(C)C)O

InChI

InChI=1S/C17H22N2O4S/c1-10(2)9-24-17-18-14-7-12(16(22)23-4)5-6-13(14)15(21)19(17)8-11(3)20/h5-7,10-11,20H,8-9H2,1-4H3/t11-/m0/s1