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

Systemtic Name: (E)-1-(1,2-dioxiran-3-yl)-3-(3-ethyl-5-phenyl-4,5-dihydro-2H-1,4-benzothiazepin-3-yl)prop-2-en-1-one Openeye Name: (E)-1-(dioxiran-3-yl)-3-(3-ethyl-5-phenyl-4,5-dihydro-2H-1,4-benzothiazepin-3-yl)prop-2-en-1-one CAS Name: (E)-1-(3-dioxiranyl)-3-(3-ethyl-5-phenyl-4,5-dihydro-2H-1,4-benzothiazepin-3-yl)-2-propen-1-one IUPAC Name: (E)-1-(dioxiran-3-yl)-3-(3-ethyl-5-phenyl-4,5-dihydro-2H-1,4-benzothiazepin-3-yl)prop-2-en-1-one Traditional Name: (E)-1-(dioxiran-3-yl)-3-(3-ethyl-5-phenyl-4,5-dihydro-2H-1,4-benzothiazepin-3-yl)prop-2-en-1-one Formula: C21H21NO3S MolecularWeight: 367.46134

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CSC2=CC=CC=C2C(N1)C3=CC=CC=C3)C=CC(=O)C4OO4

Isomeric SMILES

CCC1(CSC2=CC=CC=C2C(N1)C3=CC=CC=C3)/C=C/C(=O)C4OO4

InChI

InChI=1S/C21H21NO3S/c1-2-21(13-12-17(23)20-24-25-20)14-26-18-11-7-6-10-16(18)19(22-21)15-8-4-3-5-9-15/h3-13,19-20,22H,2,14H2,1H3/b13-12+