methyl 2-[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]sulfanylethanoate

Systemtic Name: methyl 2-[(1R)-1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]sulfanylethanoate Openeye Name: methyl 2-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]sulfanylacetate CAS Name: 2-[[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[(1R)-1-(4-oxo-1H-quinazolin-2-yl)ethyl]sulfanylacetate Traditional Name: 2-[[(1R)-1-(4-keto-1H-quinazolin-2-yl)ethyl]thio]acetic acid methyl ester Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)SCC(=O)OC

Isomeric SMILES

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)SCC(=O)OC

InChI

InChI=1S/C13H14N2O3S/c1-8(19-7-11(16)18-2)12-14-10-6-4-3-5-9(10)13(17)15-12/h3-6,8H,7H2,1-2H3,(H,14,15,17)/t8-/m1/s1