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

Systemtic Name: (E)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-(1-methylpyrazol-4-yl)prop-2-en-1-one Openeye Name: (E)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-(1-methylpyrazol-4-yl)prop-2-en-1-one CAS Name: (E)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-(1-methyl-4-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-(1-methylpyrazol-4-yl)prop-2-en-1-one Traditional Name: (E)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-(1-methylpyrazol-4-yl)prop-2-en-1-one Formula: C17H19N3OS MolecularWeight: 313.41726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3OS/c1-13-9-10-20(15-5-3-4-6-16(15)22-13)17(21)8-7-14-11-18-19(2)12-14/h3-8,11-13H,9-10H2,1-2H3/b8-7+