4-methylsulfonyl-2-[[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]amino]butanoic acid

Systemtic Name: 4-methylsulfonyl-2-[[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]amino]butanoic acid Openeye Name: 4-methylsulfonyl-2-[[(E)-3-(3-methyl-2-thienyl)prop-2-enoyl]amino]butanoic acid CAS Name: 4-methylsulfonyl-2-[[(E)-3-(3-methyl-2-thiophenyl)-1-oxoprop-2-enyl]amino]butanoic acid IUPAC Name: 4-methylsulfonyl-2-[[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]amino]butanoic acid Traditional Name: 4-mesyl-2-[[(E)-3-(3-methyl-2-thienyl)acryloyl]amino]butyric acid Formula: C13H17NO5S2 MolecularWeight: 331.40778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C=CC(=O)NC(CCS(=O)(=O)C)C(=O)O

Isomeric SMILES

CC1=C(SC=C1)/C=C/C(=O)NC(CCS(=O)(=O)C)C(=O)O

InChI

InChI=1S/C13H17NO5S2/c1-9-5-7-20-11(9)3-4-12(15)14-10(13(16)17)6-8-21(2,18)19/h3-5,7,10H,6,8H2,1-2H3,(H,14,15)(H,16,17)/b4-3+