[2-[[(S)-(4-fluorophenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate

Systemtic Name: [2-[[(S)-(4-fluorophenyl)-thiophen-2-yl-methyl]amino]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate Openeye Name: [2-[[(S)-(4-fluorophenyl)-(2-thienyl)methyl]amino]-2-oxo-ethyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [2-[[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]-2-oxoethyl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [2-[[(S)-(4-fluorophenyl)-(2-thienyl)methyl]amino]-2-keto-ethyl] ester Formula: C18H14FN3O3S MolecularWeight: 371.385463

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(C2=CC=C(C=C2)F)NC(=O)COC(=O)C3=NC=CN=C3

Isomeric SMILES

C1=CSC(=C1)[C@H](C2=CC=C(C=C2)F)NC(=O)COC(=O)C3=NC=CN=C3

InChI

InChI=1S/C18H14FN3O3S/c19-13-5-3-12(4-6-13)17(15-2-1-9-26-15)22-16(23)11-25-18(24)14-10-20-7-8-21-14/h1-10,17H,11H2,(H,22,23)/t17-/m0/s1