2-[[2-ethanoylsulfanylethyl-[(E)-3-phenylprop-2-enyl]carbamoyl]amino]propanoate

Systemtic Name: 2-[[2-ethanoylsulfanylethyl-[(E)-3-phenylprop-2-enyl]carbamoyl]amino]propanoate Openeye Name: 2-[[2-acetylsulfanylethyl-[(E)-cinnamyl]carbamoyl]amino]propanoate CAS Name: 2-[[[2-(acetylthio)ethyl-[(E)-3-phenylprop-2-enyl]amino]-oxomethyl]amino]propanoate IUPAC Name: 2-[[2-acetylsulfanylethyl-[(E)-3-phenylprop-2-enyl]carbamoyl]amino]propanoate Traditional Name: 2-[[2-(acetylthio)ethyl-[(E)-cinnamyl]carbamoyl]amino]propionate Formula: C17H21N2O4S- MolecularWeight: 349.42464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])NC(=O)N(CCSC(=O)C)CC=CC1=CC=CC=C1

Isomeric SMILES

CC(C(=O)[O-])NC(=O)N(CCSC(=O)C)C/C=C/C1=CC=CC=C1

InChI

InChI=1S/C17H22N2O4S/c1-13(16(21)22)18-17(23)19(11-12-24-14(2)20)10-6-9-15-7-4-3-5-8-15/h3-9,13H,10-12H2,1-2H3,(H,18,23)(H,21,22)/p-1/b9-6+