1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(4-nitrophenyl)sulfanyl-propan-1-one

Systemtic Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(4-nitrophenyl)sulfanyl-propan-1-one Openeye Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(4-nitrophenyl)sulfanyl-propan-1-one CAS Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-[(4-nitrophenyl)thio]-1-propanone IUPAC Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-(4-nitrophenyl)sulfanylpropan-1-one Traditional Name: 1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-[(4-nitrophenyl)thio]propan-1-one Formula: C19H20N2O3S2 MolecularWeight: 388.5037

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)C(C)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)C(C)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O3S2/c1-13-11-12-20(17-5-3-4-6-18(17)25-13)19(22)14(2)26-16-9-7-15(8-10-16)21(23)24/h3-10,13-14H,11-12H2,1-2H3