(E)-4-(2-sulfanyl-3H-1,3-benzothiazol-2-yl)but-3-en-2-one

Systemtic Name: (E)-4-(2-sulfanyl-3H-1,3-benzothiazol-2-yl)but-3-en-2-one Openeye Name: (E)-4-(2-sulfanyl-3H-1,3-benzothiazol-2-yl)but-3-en-2-one CAS Name: (E)-4-(2-mercapto-3H-1,3-benzothiazol-2-yl)-3-buten-2-one IUPAC Name: (E)-4-(2-sulfanyl-3H-1,3-benzothiazol-2-yl)but-3-en-2-one Traditional Name: (E)-4-(2-mercapto-3H-1,3-benzothiazol-2-yl)but-3-en-2-one Formula: C11H11NOS2 MolecularWeight: 237.34114

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CC1(NC2=CC=CC=C2S1)S

Isomeric SMILES

CC(=O)/C=C/C1(NC2=CC=CC=C2S1)S

InChI

InChI=1S/C11H11NOS2/c1-8(13)6-7-11(14)12-9-4-2-3-5-10(9)15-11/h2-7,12,14H,1H3/b7-6+