3-methyl-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)but-2-en-1-one

Systemtic Name: 3-methyl-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)but-2-en-1-one Openeye Name: 3-methyl-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)but-2-en-1-one CAS Name: 3-methyl-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-buten-1-one IUPAC Name: 3-methyl-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)but-2-en-1-one Traditional Name: 3-methyl-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)but-2-en-1-one Formula: C15H19NOS MolecularWeight: 261.38246

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)C=C(C)C

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)C=C(C)C

InChI

InChI=1S/C15H19NOS/c1-11(2)10-15(17)16-9-8-12(3)18-14-7-5-4-6-13(14)16/h4-7,10,12H,8-9H2,1-3H3