(2S)-2-[[(E)-2-benzamido-3-(4-chlorophenyl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[[(E)-2-benzamido-3-(4-chlorophenyl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[[(E)-2-benzamido-3-(4-chlorophenyl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(E)-2-benzamido-3-(4-chlorophenyl)-1-oxoprop-2-enyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[[(E)-2-benzamido-3-(4-chlorophenyl)prop-2-enoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[(E)-2-benzamido-3-(4-chlorophenyl)acryloyl]amino]-4-(methylthio)butyrate Formula: C21H20ClN2O4S- MolecularWeight: 431.9125

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)C(=CC1=CC=C(C=C1)Cl)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])NC(=O)/C(=C\C1=CC=C(C=C1)Cl)/NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H21ClN2O4S/c1-29-12-11-17(21(27)28)23-20(26)18(13-14-7-9-16(22)10-8-14)24-19(25)15-5-3-2-4-6-15/h2-10,13,17H,11-12H2,1H3,(H,23,26)(H,24,25)(H,27,28)/p-1/b18-13+/t17-/m0/s1