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

Systemtic Name: (E)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-(2,5-dimethoxyphenyl)prop-2-en-1-one Openeye Name: (E)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-(2,5-dimethoxyphenyl)prop-2-en-1-one CAS Name: (E)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-(2,5-dimethoxyphenyl)-2-propen-1-one IUPAC Name: (E)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-(2,5-dimethoxyphenyl)prop-2-en-1-one Traditional Name: (E)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-(2,5-dimethoxyphenyl)prop-2-en-1-one Formula: C20H21NO3S MolecularWeight: 355.45064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C=CC(=O)N2CCCSC3=CC=CC=C32

Isomeric SMILES

COC1=CC(=C(C=C1)OC)/C=C/C(=O)N2CCCSC3=CC=CC=C32

InChI

InChI=1S/C20H21NO3S/c1-23-16-9-10-18(24-2)15(14-16)8-11-20(22)21-12-5-13-25-19-7-4-3-6-17(19)21/h3-4,6-11,14H,5,12-13H2,1-2H3/b11-8+