methyl (2S)-4-methylsulfanyl-2-[[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]amino]butanoate

Systemtic Name: methyl (2S)-4-methylsulfanyl-2-[[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]amino]butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-[[(E)-3-(3-methyl-2-thienyl)prop-2-enoyl]amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[(E)-3-(3-methyl-2-thiophenyl)-1-oxoprop-2-enyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-4-methylsulfanyl-2-[[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]amino]butanoate Traditional Name: (2S)-2-[[(E)-3-(3-methyl-2-thienyl)acryloyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C14H19NO3S2 MolecularWeight: 313.43556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO3S2/c1-10-6-9-20-12(10)4-5-13(16)15-11(7-8-19-3)14(17)18-2/h4-6,9,11H,7-8H2,1-3H3,(H,15,16)/b5-4+/t11-/m0/s1