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

Systemtic Name: methyl 4-oxidanylidene-3-[(2S)-2-oxidanylpropyl]-2-propylsulfanyl-quinazoline-7-carboxylate Openeye Name: methyl 3-[(2S)-2-hydroxypropyl]-4-oxo-2-propylsulfanyl-quinazoline-7-carboxylate CAS Name: 3-[(2S)-2-hydroxypropyl]-4-oxo-2-(propylthio)-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2S)-2-hydroxypropyl]-4-oxo-2-propylsulfanylquinazoline-7-carboxylate Traditional Name: 3-[(2S)-2-hydroxypropyl]-4-keto-2-(propylthio)quinazoline-7-carboxylic acid methyl ester Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CC(C)O

Isomeric SMILES

CCCSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1C[C@H](C)O

InChI

InChI=1S/C16H20N2O4S/c1-4-7-23-16-17-13-8-11(15(21)22-3)5-6-12(13)14(20)18(16)9-10(2)19/h5-6,8,10,19H,4,7,9H2,1-3H3/t10-/m0/s1