[(2R,4E)-3-oxidanylidene-4-(1,3,3-trimethylindol-2-ylidene)butan-2-yl] 3-azanylpyrazine-2-carboxylate

Systemtic Name: [(2R,4E)-3-oxidanylidene-4-(1,3,3-trimethylindol-2-ylidene)butan-2-yl] 3-azanylpyrazine-2-carboxylate Openeye Name: [(1R,3E)-1-methyl-2-oxo-3-(1,3,3-trimethylindolin-2-ylidene)propyl] 3-aminopyrazine-2-carboxylate CAS Name: 3-amino-2-pyrazinecarboxylic acid [(2R,4E)-3-oxo-4-(1,3,3-trimethyl-2-indolylidene)butan-2-yl] ester IUPAC Name: [(2R,4E)-3-oxo-4-(1,3,3-trimethylindol-2-ylidene)butan-2-yl] 3-aminopyrazine-2-carboxylate Traditional Name: 3-aminopyrazinic acid [(1R,3E)-2-keto-1-methyl-3-(1,3,3-trimethylindolin-2-ylidene)propyl] ester Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C=C1C(C2=CC=CC=C2N1C)(C)C)OC(=O)C3=NC=CN=C3N

Isomeric SMILES

C[C@H](C(=O)/C=C/1\C(C2=CC=CC=C2N1C)(C)C)OC(=O)C3=NC=CN=C3N

InChI

InChI=1S/C20H22N4O3/c1-12(27-19(26)17-18(21)23-10-9-22-17)15(25)11-16-20(2,3)13-7-5-6-8-14(13)24(16)4/h5-12H,1-4H3,(H2,21,23)/b16-11+/t12-/m1/s1