[(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxidanylidene-propan-2-yl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate

Systemtic Name: [(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxidanylidene-propan-2-yl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: [(1R)-2-(indan-5-ylamino)-1-methyl-2-oxo-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid [(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid [(1R)-2-(indan-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)OC(C)C(=O)NC2=CC3=C(CCC3)C=C2)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)O[C@H](C)C(=O)NC2=CC3=C(CCC3)C=C2)C

InChI

InChI=1S/C20H23N3O3S/c1-12-9-13(2)22-20(21-12)27-11-18(24)26-14(3)19(25)23-17-8-7-15-5-4-6-16(15)10-17/h7-10,14H,4-6,11H2,1-3H3,(H,23,25)/t14-/m1/s1