(phenylmethyl) 3-[[(Z)-2-(ethanoylsulfanylmethyl)-3-naphthalen-1-yl-prop-2-enoyl]amino]propanoate

Systemtic Name: (phenylmethyl) 3-[[(Z)-2-(ethanoylsulfanylmethyl)-3-naphthalen-1-yl-prop-2-enoyl]amino]propanoate Openeye Name: benzyl 3-[[(Z)-2-(acetylsulfanylmethyl)-3-(1-naphthyl)prop-2-enoyl]amino]propanoate CAS Name: 3-[[(Z)-2-[(acetylthio)methyl]-3-(1-naphthalenyl)-1-oxoprop-2-enyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[[(Z)-2-(acetylsulfanylmethyl)-3-naphthalen-1-ylprop-2-enoyl]amino]propanoate Traditional Name: 3-[[(Z)-2-[(acetylthio)methyl]-3-(1-naphthyl)acryloyl]amino]propionic acid benzyl ester Formula: C26H25NO4S MolecularWeight: 447.546

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=CC1=CC=CC2=CC=CC=C21)C(=O)NCCC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(=O)SC/C(=C\C1=CC=CC2=CC=CC=C21)/C(=O)NCCC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H25NO4S/c1-19(28)32-18-23(16-22-12-7-11-21-10-5-6-13-24(21)22)26(30)27-15-14-25(29)31-17-20-8-3-2-4-9-20/h2-13,16H,14-15,17-18H2,1H3,(H,27,30)/b23-16+