ethyl 4-azanyl-2-[2-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxidanylidene-propan-2-yl]oxy-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxidanylidene-propan-2-yl]oxy-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-[(1R)-2-indolin-1-yl-1-methyl-2-oxo-ethoxy]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]oxy-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]oxy-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-[(1R)-2-indolin-1-yl-2-keto-1-methyl-ethoxy]-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C20H22N4O5S MolecularWeight: 430.47748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)OC(C)C(=O)N2CCC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)O[C@H](C)C(=O)N2CCC3=CC=CC=C32

InChI

InChI=1S/C20H22N4O5S/c1-3-28-19(27)14-10-22-20(23-17(14)21)30-11-16(25)29-12(2)18(26)24-9-8-13-6-4-5-7-15(13)24/h4-7,10,12H,3,8-9,11H2,1-2H3,(H2,21,22,23)/t12-/m1/s1