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

Systemtic Name: (E)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-pyrazin-2-yl-prop-2-en-1-one Openeye Name: (E)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-pyrazin-2-yl-prop-2-en-1-one CAS Name: (E)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-(2-pyrazinyl)-2-propen-1-one IUPAC Name: (E)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-pyrazin-2-ylprop-2-en-1-one Traditional Name: (E)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-pyrazin-2-yl-prop-2-en-1-one Formula: C17H17N3OS MolecularWeight: 311.40138

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)C=CC3=NC=CN=C3

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)/C=C/C3=NC=CN=C3

InChI

InChI=1S/C17H17N3OS/c1-13-8-11-20(15-4-2-3-5-16(15)22-13)17(21)7-6-14-12-18-9-10-19-14/h2-7,9-10,12-13H,8,11H2,1H3/b7-6+