methyl (2R)-2-[[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2R)-2-[[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2R)-2-[[(E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[(E)-3-(5-bromo-2-methoxyphenyl)-1-oxoprop-2-enyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[[(E)-3-(5-bromo-2-methoxy-phenyl)acryloyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C16H20BrNO4S MolecularWeight: 402.3033

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=CC(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=C/C(=O)N[C@H](CCSC)C(=O)OC

InChI

InChI=1S/C16H20BrNO4S/c1-21-14-6-5-12(17)10-11(14)4-7-15(19)18-13(8-9-23-3)16(20)22-2/h4-7,10,13H,8-9H2,1-3H3,(H,18,19)/b7-4+/t13-/m1/s1