[2-[[3-ethoxycarbonyl-5-methyl-4-[(2S)-2-methylbutyl]thiophen-2-yl]amino]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate

Systemtic Name: [2-[[3-ethoxycarbonyl-5-methyl-4-[(2S)-2-methylbutyl]thiophen-2-yl]amino]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate Openeye Name: [2-[[3-ethoxycarbonyl-5-methyl-4-[(2S)-2-methylbutyl]-2-thienyl]amino]-2-oxo-ethyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [2-[[3-ethoxycarbonyl-5-methyl-4-[(2S)-2-methylbutyl]-2-thiophenyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[3-ethoxycarbonyl-5-methyl-4-[(2S)-2-methylbutyl]thiophen-2-yl]amino]-2-oxoethyl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [2-[[3-carbethoxy-5-methyl-4-[(2S)-2-methylbutyl]-2-thienyl]amino]-2-keto-ethyl] ester Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC1=C(SC(=C1C(=O)OCC)NC(=O)COC(=O)C2=NC=CN=C2)C

Isomeric SMILES

CC[C@H](C)CC1=C(SC(=C1C(=O)OCC)NC(=O)COC(=O)C2=NC=CN=C2)C

InChI

InChI=1S/C20H25N3O5S/c1-5-12(3)9-14-13(4)29-18(17(14)20(26)27-6-2)23-16(24)11-28-19(25)15-10-21-7-8-22-15/h7-8,10,12H,5-6,9,11H2,1-4H3,(H,23,24)/t12-/m0/s1