(2S)-2-[[(Z)-2-benzamido-3-(2-fluorophenyl)prop-2-enoyl]amino]-3-methylsulfanyl-propanoate

Systemtic Name: (2S)-2-[[(Z)-2-benzamido-3-(2-fluorophenyl)prop-2-enoyl]amino]-3-methylsulfanyl-propanoate Openeye Name: (2S)-2-[[(Z)-2-benzamido-3-(2-fluorophenyl)prop-2-enoyl]amino]-3-methylsulfanyl-propanoate CAS Name: (2S)-2-[[(Z)-2-benzamido-3-(2-fluorophenyl)-1-oxoprop-2-enyl]amino]-3-(methylthio)propanoate IUPAC Name: (2S)-2-[[(Z)-2-benzamido-3-(2-fluorophenyl)prop-2-enoyl]amino]-3-methylsulfanylpropanoate Traditional Name: (2S)-2-[[(Z)-2-benzamido-3-(2-fluorophenyl)acryloyl]amino]-3-(methylthio)propionate Formula: C20H18FN2O4S- MolecularWeight: 401.431323

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(C(=O)[O-])NC(=O)C(=CC1=CC=CC=C1F)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CSC[C@H](C(=O)[O-])NC(=O)/C(=C/C1=CC=CC=C1F)/NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H19FN2O4S/c1-28-12-17(20(26)27)23-19(25)16(11-14-9-5-6-10-15(14)21)22-18(24)13-7-3-2-4-8-13/h2-11,17H,12H2,1H3,(H,22,24)(H,23,25)(H,26,27)/p-1/b16-11-/t17-/m1/s1