methyl (2S)-4-methylsulfanyl-2-[[4-[[(E)-3-naphthalen-2-ylprop-2-enoyl]amino]phenyl]carbonylamino]butanoate

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[[4-[[(E)-3-naphthalen-2-ylprop-2-enoyl]amino]phenyl]carbonylamino]butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-[[4-[[(E)-3-(2-naphthyl)prop-2-enoyl]amino]benzoyl]amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[[4-[[(E)-3-(2-naphthalenyl)-1-oxoprop-2-enyl]amino]phenyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[[4-[[(E)-3-naphthalen-2-ylprop-2-enoyl]amino]benzoyl]amino]butanoate Traditional Name: (2S)-4-(methylthio)-2-[[4-[[(E)-3-(2-naphthyl)acryloyl]amino]benzoyl]amino]butyric acid methyl ester Formula: C26H26N2O4S MolecularWeight: 462.56064

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CC=C(C=C1)NC(=O)C=CC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

COC(=O)[C@H](CCSC)NC(=O)C1=CC=C(C=C1)NC(=O)/C=C/C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C26H26N2O4S/c1-32-26(31)23(15-16-33-2)28-25(30)20-10-12-22(13-11-20)27-24(29)14-8-18-7-9-19-5-3-4-6-21(19)17-18/h3-14,17,23H,15-16H2,1-2H3,(H,27,29)(H,28,30)/b14-8+/t23-/m0/s1