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

Systemtic Name: methyl 2-[(3-methoxyphenyl)methylsulfanyl]-4-oxidanylidene-3-[(2R)-2-oxidanylpropyl]quinazoline-7-carboxylate Openeye Name: methyl 3-[(2R)-2-hydroxypropyl]-2-[(3-methoxyphenyl)methylsulfanyl]-4-oxo-quinazoline-7-carboxylate CAS Name: 3-[(2R)-2-hydroxypropyl]-2-[(3-methoxyphenyl)methylthio]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2R)-2-hydroxypropyl]-2-[(3-methoxyphenyl)methylsulfanyl]-4-oxoquinazoline-7-carboxylate Traditional Name: 3-[(2R)-2-hydroxypropyl]-4-keto-2-(m-anisylthio)quinazoline-7-carboxylic acid methyl ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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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)OC)O

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5S/c1-13(24)11-23-19(25)17-8-7-15(20(26)28-3)10-18(17)22-21(23)29-12-14-5-4-6-16(9-14)27-2/h4-10,13,24H,11-12H2,1-3H3/t13-/m1/s1