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

Systemtic Name: methyl 4-oxidanylidene-3-[(2R)-2-oxidanylpropyl]-2-prop-2-enylsulfanyl-quinazoline-7-carboxylate Openeye Name: methyl 2-allylsulfanyl-3-[(2R)-2-hydroxypropyl]-4-oxo-quinazoline-7-carboxylate CAS Name: 3-[(2R)-2-hydroxypropyl]-4-oxo-2-(prop-2-enylthio)-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2R)-2-hydroxypropyl]-4-oxo-2-prop-2-enylsulfanylquinazoline-7-carboxylate Traditional Name: 2-(allylthio)-3-[(2R)-2-hydroxypropyl]-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O4S/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/h4-6,8,10,19H,1,7,9H2,2-3H3/t10-/m1/s1