methyl 4-oxidanylidene-3-[(2R)-2-oxidanylpropyl]-2-[(E)-3-phenylprop-2-enyl]sulfanyl-quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-3-[(2R)-2-oxidanylpropyl]-2-[(E)-3-phenylprop-2-enyl]sulfanyl-quinazoline-7-carboxylate Openeye Name: methyl 2-[(E)-cinnamyl]sulfanyl-3-[(2R)-2-hydroxypropyl]-4-oxo-quinazoline-7-carboxylate CAS Name: 3-[(2R)-2-hydroxypropyl]-4-oxo-2-[[(E)-3-phenylprop-2-enyl]thio]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2R)-2-hydroxypropyl]-4-oxo-2-[(E)-3-phenylprop-2-enyl]sulfanylquinazoline-7-carboxylate Traditional Name: 2-[[(E)-cinnamyl]thio]-3-[(2R)-2-hydroxypropyl]-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C22H22N2O4S MolecularWeight: 410.48608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC=CC3=CC=CC=C3)O

Isomeric SMILES

C[C@H](CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SC/C=C/C3=CC=CC=C3)O

InChI

InChI=1S/C22H22N2O4S/c1-15(25)14-24-20(26)18-11-10-17(21(27)28-2)13-19(18)23-22(24)29-12-6-9-16-7-4-3-5-8-16/h3-11,13,15,25H,12,14H2,1-2H3/b9-6+/t15-/m1/s1