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

Systemtic Name: (E)-4-(2,4-dimethyl-1,3-thiazol-5-yl)but-3-en-2-one Openeye Name: (E)-4-(2,4-dimethylthiazol-5-yl)but-3-en-2-one CAS Name: (E)-4-(2,4-dimethyl-5-thiazolyl)-3-buten-2-one IUPAC Name: (E)-4-(2,4-dimethyl-1,3-thiazol-5-yl)but-3-en-2-one Traditional Name: (E)-4-(2,4-dimethylthiazol-5-yl)but-3-en-2-one Formula: C9H11NOS MolecularWeight: 181.25474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C)C=CC(=O)C

Isomeric SMILES

CC1=C(SC(=N1)C)/C=C/C(=O)C

InChI

InChI=1S/C9H11NOS/c1-6(11)4-5-9-7(2)10-8(3)12-9/h4-5H,1-3H3/b5-4+