4-[methyl-[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]butanoic acid

Systemtic Name: 4-[methyl-[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]butanoic acid Openeye Name: 4-[methyl-[(E)-3-(2-methylthiazol-4-yl)prop-2-enoyl]amino]butanoic acid CAS Name: 4-[methyl-[(E)-3-(2-methyl-4-thiazolyl)-1-oxoprop-2-enyl]amino]butanoic acid IUPAC Name: 4-[methyl-[(E)-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]butanoic acid Traditional Name: 4-[methyl-[(E)-3-(2-methylthiazol-4-yl)acryloyl]amino]butyric acid Formula: C12H16N2O3S MolecularWeight: 268.33204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C=CC(=O)N(C)CCCC(=O)O

Isomeric SMILES

CC1=NC(=CS1)/C=C/C(=O)N(C)CCCC(=O)O

InChI

InChI=1S/C12H16N2O3S/c1-9-13-10(8-18-9)5-6-11(15)14(2)7-3-4-12(16)17/h5-6,8H,3-4,7H2,1-2H3,(H,16,17)/b6-5+