2-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone

Systemtic Name: 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone Openeye Name: 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone CAS Name: 2-[4-(2-ethoxyphenyl)-1-piperazinyl]-1-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone IUPAC Name: 2-[4-(2-ethoxyphenyl)piperazin-1-yl]-1-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]ethanone Traditional Name: 1-[(2R)-2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-2-(4-o-phenetylpiperazino)ethanone Formula: C24H31N3O2S MolecularWeight: 425.58684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)CC(=O)N3CCC(SC4=CC=CC=C43)C

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)CC(=O)N3CC[C@H](SC4=CC=CC=C43)C

InChI

InChI=1S/C24H31N3O2S/c1-3-29-22-10-6-4-8-20(22)26-16-14-25(15-17-26)18-24(28)27-13-12-19(2)30-23-11-7-5-9-21(23)27/h4-11,19H,3,12-18H2,1-2H3/t19-/m1/s1