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

Systemtic Name: methyl 2-[(3-chlorophenyl)methylsulfanyl]-4-oxidanylidene-3-[(2R)-2-oxidanylpropyl]quinazoline-7-carboxylate Openeye Name: methyl 2-[(3-chlorophenyl)methylsulfanyl]-3-[(2R)-2-hydroxypropyl]-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[(3-chlorophenyl)methylthio]-3-[(2R)-2-hydroxypropyl]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3-chlorophenyl)methylsulfanyl]-3-[(2R)-2-hydroxypropyl]-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[(3-chlorobenzyl)thio]-3-[(2R)-2-hydroxypropyl]-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C20H19ClN2O4S MolecularWeight: 418.89386

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC3=CC(=CC=C3)Cl)O

Isomeric SMILES

C[C@H](CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC3=CC(=CC=C3)Cl)O

InChI

InChI=1S/C20H19ClN2O4S/c1-12(24)10-23-18(25)16-7-6-14(19(26)27-2)9-17(16)22-20(23)28-11-13-4-3-5-15(21)8-13/h3-9,12,24H,10-11H2,1-2H3/t12-/m1/s1