(E)-4-(2-methyl-1,3-thiazol-5-yl)but-3-en-2-one

Systemtic Name: (E)-4-(2-methyl-1,3-thiazol-5-yl)but-3-en-2-one Openeye Name: (E)-4-(2-methylthiazol-5-yl)but-3-en-2-one CAS Name: (E)-4-(2-methyl-5-thiazolyl)-3-buten-2-one IUPAC Name: (E)-4-(2-methyl-1,3-thiazol-5-yl)but-3-en-2-one Traditional Name: (E)-4-(2-methylthiazol-5-yl)but-3-en-2-one Formula: C8H9NOS MolecularWeight: 167.22816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(S1)C=CC(=O)C

Isomeric SMILES

CC1=NC=C(S1)/C=C/C(=O)C

InChI

InChI=1S/C8H9NOS/c1-6(10)3-4-8-5-9-7(2)11-8/h3-5H,1-2H3/b4-3+