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

Systemtic Name: 4-[[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]amino]butanoic acid Openeye Name: 4-[[(E)-3-(3-methyl-2-thienyl)prop-2-enoyl]amino]butanoic acid CAS Name: 4-[[(E)-3-(3-methyl-2-thiophenyl)-1-oxoprop-2-enyl]amino]butanoic acid IUPAC Name: 4-[[(E)-3-(3-methylthiophen-2-yl)prop-2-enoyl]amino]butanoic acid Traditional Name: 4-[[(E)-3-(3-methyl-2-thienyl)acryloyl]amino]butyric acid Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C=CC(=O)NCCCC(=O)O

Isomeric SMILES

CC1=C(SC=C1)/C=C/C(=O)NCCCC(=O)O

InChI

InChI=1S/C12H15NO3S/c1-9-6-8-17-10(9)4-5-11(14)13-7-2-3-12(15)16/h4-6,8H,2-3,7H2,1H3,(H,13,14)(H,15,16)/b5-4+