ethyl (E)-3-azanyl-2-[(4-fluorophenyl)carbamothioyl]-3-pyrrolidin-1-yl-prop-2-enoate

Systemtic Name: ethyl (E)-3-azanyl-2-[(4-fluorophenyl)carbamothioyl]-3-pyrrolidin-1-yl-prop-2-enoate Openeye Name: ethyl (E)-3-amino-2-[(4-fluorophenyl)carbamothioyl]-3-pyrrolidin-1-yl-prop-2-enoate CAS Name: (E)-3-amino-2-[(4-fluoroanilino)-sulfanylidenemethyl]-3-(1-pyrrolidinyl)-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-amino-2-[(4-fluorophenyl)carbamothioyl]-3-pyrrolidin-1-ylprop-2-enoate Traditional Name: (E)-3-amino-2-[(4-fluorophenyl)thiocarbamoyl]-3-pyrrolidino-acrylic acid ethyl ester Formula: C16H20FN3O2S MolecularWeight: 337.412303

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(N)N1CCCC1)C(=S)NC2=CC=C(C=C2)F

Isomeric SMILES

CCOC(=O)/C(=C(/N)\N1CCCC1)/C(=S)NC2=CC=C(C=C2)F

InChI

InChI=1S/C16H20FN3O2S/c1-2-22-16(21)13(14(18)20-9-3-4-10-20)15(23)19-12-7-5-11(17)6-8-12/h5-8H,2-4,9-10,18H2,1H3,(H,19,23)/b14-13-