methyl (2R)-2-(benzotriazol-1-yl)-2-ethoxy-N-(3-fluorophenyl)but-3-enimidothioate

Systemtic Name: methyl (2R)-2-(benzotriazol-1-yl)-2-ethoxy-N-(3-fluorophenyl)but-3-enimidothioate Openeye Name: methyl (2R)-2-(benzotriazol-1-yl)-2-ethoxy-N-(3-fluorophenyl)but-3-enimidothioate CAS Name: (2R)-2-(1-benzotriazolyl)-2-ethoxy-N-(3-fluorophenyl)-3-butenimidothioic acid methyl ester IUPAC Name: methyl (2R)-2-(benzotriazol-1-yl)-2-ethoxy-N-(3-fluorophenyl)but-3-enimidothioate Traditional Name: (2R)-2-(benzotriazol-1-yl)-2-ethoxy-N-(3-fluorophenyl)but-3-enimidothioic acid methyl ester Formula: C19H19FN4OS MolecularWeight: 370.443763

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C=C)(C(=NC1=CC(=CC=C1)F)SC)N2C3=CC=CC=C3N=N2

Isomeric SMILES

CCO[C@](C=C)(C(=NC1=CC(=CC=C1)F)SC)N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C19H19FN4OS/c1-4-19(25-5-2,24-17-12-7-6-11-16(17)22-23-24)18(26-3)21-15-10-8-9-14(20)13-15/h4,6-13H,1,5H2,2-3H3/t19-/m1/s1