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

Systemtic Name: methyl (2R)-4-methylsulfanyl-2-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]butanoate Openeye Name: methyl (2R)-2-[[(E)-3-(4-isopropylphenyl)prop-2-enoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-4-(methylthio)-2-[[(E)-1-oxo-3-(4-propan-2-ylphenyl)prop-2-enyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2R)-4-methylsulfanyl-2-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]butanoate Traditional Name: (2R)-4-(methylthio)-2-[[(E)-3-p-cumenylacryloyl]amino]butyric acid methyl ester Formula: C18H25NO3S MolecularWeight: 335.461

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO3S/c1-13(2)15-8-5-14(6-9-15)7-10-17(20)19-16(11-12-23-4)18(21)22-3/h5-10,13,16H,11-12H2,1-4H3,(H,19,20)/b10-7+/t16-/m1/s1