[(2S)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxidanylidene-propan-2-yl] pyrazine-2-carboxylate

Systemtic Name: [(2S)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxidanylidene-propan-2-yl] pyrazine-2-carboxylate Openeye Name: [(1S)-2-[(9-ethylcarbazol-3-yl)amino]-1-methyl-2-oxo-ethyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [(2S)-1-[(9-ethyl-3-carbazolyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[(9-ethylcarbazol-3-yl)amino]-1-oxopropan-2-yl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [(1S)-2-[(9-ethylcarbazol-3-yl)amino]-2-keto-1-methyl-ethyl] ester Formula: C22H20N4O3 MolecularWeight: 388.4192

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)C(C)OC(=O)C3=NC=CN=C3)C4=CC=CC=C41

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)[C@H](C)OC(=O)C3=NC=CN=C3)C4=CC=CC=C41

InChI

InChI=1S/C22H20N4O3/c1-3-26-19-7-5-4-6-16(19)17-12-15(8-9-20(17)26)25-21(27)14(2)29-22(28)18-13-23-10-11-24-18/h4-14H,3H2,1-2H3,(H,25,27)/t14-/m0/s1