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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-1-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-1-one CAS Name: 3-(1,3-benzodioxol-5-yl)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-propanone IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-1-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propan-1-one Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)CCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H21NO3S/c1-14-10-11-21(16-4-2-3-5-19(16)25-14)20(22)9-7-15-6-8-17-18(12-15)24-13-23-17/h2-6,8,12,14H,7,9-11,13H2,1H3