methyl (2R)-2-[3-(3-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanoate

Systemtic Name: methyl (2R)-2-[3-(3-ethoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylbutanoate Openeye Name: methyl (2R)-2-[3-(3-ethoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanylbutanoate CAS Name: (2R)-2-[[3-(3-ethoxyphenyl)-4-oxo-2-quinazolinyl]thio]butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[3-(3-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylbutanoate Traditional Name: (2R)-2-[(4-keto-3-m-phenetyl-quinazolin-2-yl)thio]butyric acid methyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC)SC1=NC2=CC=CC=C2C(=O)N1C3=CC(=CC=C3)OCC

Isomeric SMILES

CC[C@H](C(=O)OC)SC1=NC2=CC=CC=C2C(=O)N1C3=CC(=CC=C3)OCC

InChI

InChI=1S/C21H22N2O4S/c1-4-18(20(25)26-3)28-21-22-17-12-7-6-11-16(17)19(24)23(21)14-9-8-10-15(13-14)27-5-2/h6-13,18H,4-5H2,1-3H3/t18-/m1/s1