3-[[3-ethoxycarbonyl-4-(4-fluorophenyl)thiophen-2-yl]carbamoyl]pyrazine-2-carboxylic acid

Systemtic Name: 3-[[3-ethoxycarbonyl-4-(4-fluorophenyl)thiophen-2-yl]carbamoyl]pyrazine-2-carboxylic acid Openeye Name: 3-[[3-ethoxycarbonyl-4-(4-fluorophenyl)-2-thienyl]carbamoyl]pyrazine-2-carboxylic acid CAS Name: 3-[[[3-ethoxycarbonyl-4-(4-fluorophenyl)-2-thiophenyl]amino]-oxomethyl]-2-pyrazinecarboxylic acid IUPAC Name: 3-[[3-ethoxycarbonyl-4-(4-fluorophenyl)thiophen-2-yl]carbamoyl]pyrazine-2-carboxylic acid Traditional Name: 3-[[3-carbethoxy-4-(4-fluorophenyl)-2-thienyl]carbamoyl]pyrazinoic acid Formula: C19H14FN3O5S MolecularWeight: 415.394963

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)C3=NC=CN=C3C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)F)NC(=O)C3=NC=CN=C3C(=O)O

InChI

InChI=1S/C19H14FN3O5S/c1-2-28-19(27)13-12(10-3-5-11(20)6-4-10)9-29-17(13)23-16(24)14-15(18(25)26)22-8-7-21-14/h3-9H,2H2,1H3,(H,23,24)(H,25,26)