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

Systemtic Name: methyl (2R)-2-[[(E)-3-(2-bromanyl-4-methyl-phenyl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2R)-2-[[(E)-3-(2-bromo-4-methyl-phenyl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[[(E)-3-(2-bromo-4-methylphenyl)-1-oxoprop-2-enyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(E)-3-(2-bromo-4-methylphenyl)prop-2-enoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[[(E)-3-(2-bromo-4-methyl-phenyl)acryloyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C16H20BrNO3S MolecularWeight: 386.3039

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C=CC(=O)NC(CCSC)C(=O)OC)Br

Isomeric SMILES

CC1=CC(=C(C=C1)/C=C/C(=O)N[C@H](CCSC)C(=O)OC)Br

InChI

InChI=1S/C16H20BrNO3S/c1-11-4-5-12(13(17)10-11)6-7-15(19)18-14(8-9-22-3)16(20)21-2/h4-7,10,14H,8-9H2,1-3H3,(H,18,19)/b7-6+/t14-/m1/s1