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

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)prop-2-en-1-one Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)prop-2-en-1-one CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-propen-1-one IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)prop-2-en-1-one Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)prop-2-en-1-one Formula: C19H16N2OS2 MolecularWeight: 352.47314

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2SC1)C(=O)C=CC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(C2=CC=CC=C2SC1)C(=O)/C=C/C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H16N2OS2/c22-19(11-10-18-20-14-6-1-3-8-16(14)24-18)21-12-5-13-23-17-9-4-2-7-15(17)21/h1-4,6-11H,5,12-13H2/b11-10+