1-(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)prop-2-en-1-one

Systemtic Name: 1-(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)prop-2-en-1-one Openeye Name: 1-(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)prop-2-en-1-one CAS Name: 1-(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)-2-propen-1-one IUPAC Name: 1-(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)prop-2-en-1-one Traditional Name: 1-(7-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:

COC1=CC2=C(C=C1)SCCN(C2)C(=O)C=C

Isomeric SMILES

COC1=CC2=C(C=C1)SCCN(C2)C(=O)C=C

InChI

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