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

Systemtic Name: (E)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-(2-nitrophenyl)prop-2-en-1-one Openeye Name: (E)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-(2-nitrophenyl)prop-2-en-1-one CAS Name: (E)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-(2-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-(2-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-(2-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(11-10-14-6-1-2-7-15(14)20(22)23)19-12-5-13-24-17-9-4-3-8-16(17)19/h1-4,6-11H,5,12-13H2/b11-10+