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

Systemtic Name: methyl 2-[(3-cyanophenyl)methylsulfanyl]-4-oxidanylidene-3-[(2R)-2-oxidanylpropyl]quinazoline-7-carboxylate Openeye Name: methyl 2-[(3-cyanophenyl)methylsulfanyl]-3-[(2R)-2-hydroxypropyl]-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[(3-cyanophenyl)methylthio]-3-[(2R)-2-hydroxypropyl]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3-cyanophenyl)methylsulfanyl]-3-[(2R)-2-hydroxypropyl]-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[(3-cyanobenzyl)thio]-3-[(2R)-2-hydroxypropyl]-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C21H19N3O4S MolecularWeight: 409.45826

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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)C#N)O

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O4S/c1-13(25)11-24-19(26)17-7-6-16(20(27)28-2)9-18(17)23-21(24)29-12-15-5-3-4-14(8-15)10-22/h3-9,13,25H,11-12H2,1-2H3/t13-/m1/s1