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

Systemtic Name: (E)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-quinolin-2-yl-prop-2-en-1-one Openeye Name: (E)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-(2-quinolyl)prop-2-en-1-one CAS Name: (E)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-(2-quinolinyl)-2-propen-1-one IUPAC Name: (E)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-quinolin-2-ylprop-2-en-1-one Traditional Name: (E)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-(2-quinolyl)prop-2-en-1-one Formula: C21H18N2OS MolecularWeight: 346.44542

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2SC1)C(=O)C=CC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(C2=CC=CC=C2SC1)C(=O)/C=C/C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H18N2OS/c24-21(23-14-5-15-25-20-9-4-3-8-19(20)23)13-12-17-11-10-16-6-1-2-7-18(16)22-17/h1-4,6-13H,5,14-15H2/b13-12+