methyl 4-[[7-chloranyl-4-oxidanylidene-3-[(2R)-2-oxidanylpropyl]quinazolin-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[7-chloranyl-4-oxidanylidene-3-[(2R)-2-oxidanylpropyl]quinazolin-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[7-chloro-3-[(2R)-2-hydroxypropyl]-4-oxo-quinazolin-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[7-chloro-3-[(2R)-2-hydroxypropyl]-4-oxo-2-quinazolinyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[7-chloro-3-[(2R)-2-hydroxypropyl]-4-oxoquinazolin-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[7-chloro-3-[(2R)-2-hydroxypropyl]-4-keto-quinazolin-2-yl]thio]methyl]benzoic 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)Cl)N=C1SCC3=CC=C(C=C3)C(=O)OC)O

Isomeric SMILES

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

InChI

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