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

Systemtic Name: (E)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-(3-nitrophenyl)prop-2-en-1-one Openeye Name: (E)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-(3-nitrophenyl)prop-2-en-1-one CAS Name: (E)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-(3-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-(3-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-(3-nitrophenyl)prop-2-en-1-one Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2SC1)C(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(C2=CC=CC=C2SC1)C(=O)/C=C/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O3S/c21-18(10-9-14-5-3-6-15(13-14)20(22)23)19-11-4-12-24-17-8-2-1-7-16(17)19/h1-3,5-10,13H,4,11-12H2/b10-9+