[(2R)-1-oxidanylidene-1-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-(4-ethoxyphenyl)sulfanylethanoate

Systemtic Name: [(2R)-1-oxidanylidene-1-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-(4-ethoxyphenyl)sulfanylethanoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(4-ethoxyphenyl)sulfanylacetate CAS Name: 2-[(4-ethoxyphenyl)thio]acetic acid [(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-(4-ethoxyphenyl)sulfanylacetate Traditional Name: 2-(p-phenetylthio)acetic acid [(1R)-2-keto-2-(3-keto-2,4-dihydroquinoxalin-1-yl)-1-methyl-ethyl] ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)SCC(=O)OC(C)C(=O)N2CC(=O)NC3=CC=CC=C32

Isomeric SMILES

CCOC1=CC=C(C=C1)SCC(=O)O[C@H](C)C(=O)N2CC(=O)NC3=CC=CC=C32

InChI

InChI=1S/C21H22N2O5S/c1-3-27-15-8-10-16(11-9-15)29-13-20(25)28-14(2)21(26)23-12-19(24)22-17-6-4-5-7-18(17)23/h4-11,14H,3,12-13H2,1-2H3,(H,22,24)/t14-/m1/s1