1-(2-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)prop-2-en-1-one

Systemtic Name: 1-(2-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)prop-2-en-1-one Openeye Name: 1-(2-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)prop-2-en-1-one CAS Name: 1-(2-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)-2-propen-1-one IUPAC Name: 1-(2-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)prop-2-en-1-one Traditional Name: 1-(2-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)prop-2-en-1-one Formula: C13H15NO2S MolecularWeight: 249.3287

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Descriptors Computed from Structure

Canonical SMILES:

COC1CN(CC2=CC=CC=C2S1)C(=O)C=C

Isomeric SMILES

COC1CN(CC2=CC=CC=C2S1)C(=O)C=C

InChI

InChI=1S/C13H15NO2S/c1-3-12(15)14-8-10-6-4-5-7-11(10)17-13(9-14)16-2/h3-7,13H,1,8-9H2,2H3