2-[ethyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]amino]-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone

Systemtic Name: 2-[ethyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]amino]-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Openeye Name: 2-[ethyl-[(3-fluoro-4-methoxy-phenyl)methyl]amino]-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone CAS Name: 2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone IUPAC Name: 2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Traditional Name: 2-[ethyl-(3-fluoro-4-methoxy-benzyl)amino]-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Formula: C22H27FN2O2S MolecularWeight: 402.525383

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=C(C=C1)OC)F)CC(=O)N2CCC(SC3=CC=CC=C32)C

Isomeric SMILES

CCN(CC1=CC(=C(C=C1)OC)F)CC(=O)N2CCC(SC3=CC=CC=C32)C

InChI

InChI=1S/C22H27FN2O2S/c1-4-24(14-17-9-10-20(27-3)18(23)13-17)15-22(26)25-12-11-16(2)28-21-8-6-5-7-19(21)25/h5-10,13,16H,4,11-12,14-15H2,1-3H3