methyl 4-oxidanylidene-3-[(2R)-2-oxidanylpropyl]-2-[(1R)-1-phenylethyl]sulfanyl-quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-3-[(2R)-2-oxidanylpropyl]-2-[(1R)-1-phenylethyl]sulfanyl-quinazoline-7-carboxylate Openeye Name: methyl 3-[(2R)-2-hydroxypropyl]-4-oxo-2-[(1R)-1-phenylethyl]sulfanyl-quinazoline-7-carboxylate CAS Name: 3-[(2R)-2-hydroxypropyl]-4-oxo-2-[[(1R)-1-phenylethyl]thio]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2R)-2-hydroxypropyl]-4-oxo-2-[(1R)-1-phenylethyl]sulfanylquinazoline-7-carboxylate Traditional Name: 3-[(2R)-2-hydroxypropyl]-4-keto-2-[[(1R)-1-phenylethyl]thio]quinazoline-7-carboxylic acid methyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SC(C)C3=CC=CC=C3)O

Isomeric SMILES

C[C@H](CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1S[C@H](C)C3=CC=CC=C3)O

InChI

InChI=1S/C21H22N2O4S/c1-13(24)12-23-19(25)17-10-9-16(20(26)27-3)11-18(17)22-21(23)28-14(2)15-7-5-4-6-8-15/h4-11,13-14,24H,12H2,1-3H3/t13-,14-/m1/s1