2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone

Systemtic Name: 2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Openeye Name: 2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone CAS Name: 2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone IUPAC Name: 2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Traditional Name: 2-[ethyl(piperonyl)amino]-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCO2)CC(=O)N3CCC(SC4=CC=CC=C43)C

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCO2)CC(=O)N3CCC(SC4=CC=CC=C43)C

InChI

InChI=1S/C22H26N2O3S/c1-3-23(13-17-8-9-19-20(12-17)27-15-26-19)14-22(25)24-11-10-16(2)28-21-7-5-4-6-18(21)24/h4-9,12,16H,3,10-11,13-15H2,1-2H3