(E)-7-carbamimidoylsulfanyl-5-(4-fluorophenyl)-3-thiophen-2-yl-hept-2-enoic acid

Systemtic Name: (E)-7-carbamimidoylsulfanyl-5-(4-fluorophenyl)-3-thiophen-2-yl-hept-2-enoic acid Openeye Name: (E)-7-carbamimidoylsulfanyl-5-(4-fluorophenyl)-3-(2-thienyl)hept-2-enoic acid CAS Name: (E)-7-(carbamimidoylthio)-5-(4-fluorophenyl)-3-thiophen-2-yl-2-heptenoic acid IUPAC Name: (E)-7-carbamimidoylsulfanyl-5-(4-fluorophenyl)-3-thiophen-2-ylhept-2-enoic acid Traditional Name: (E)-7-(amidinothio)-5-(4-fluorophenyl)-3-(2-thienyl)hept-2-enoic acid Formula: C18H19FN2O2S2 MolecularWeight: 378.484063

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=CC(=O)O)CC(CCSC(=N)N)C2=CC=C(C=C2)F

Isomeric SMILES

C1=CSC(=C1)/C(=C/C(=O)O)/CC(CCSC(=N)N)C2=CC=C(C=C2)F

InChI

InChI=1S/C18H19FN2O2S2/c19-15-5-3-12(4-6-15)13(7-9-25-18(20)21)10-14(11-17(22)23)16-2-1-8-24-16/h1-6,8,11,13H,7,9-10H2,(H3,20,21)(H,22,23)/b14-11+