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

Systemtic Name: 1,3-benzodioxol-5-yl-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Openeye Name: 1,3-benzodioxol-5-yl-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone CAS Name: 1,3-benzodioxol-5-yl-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone IUPAC Name: 1,3-benzodioxol-5-yl-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Traditional Name: 1,3-benzodioxol-5-yl-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Formula: C18H17NO3S MolecularWeight: 327.39748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO3S/c1-12-8-9-19(14-4-2-3-5-17(14)23-12)18(20)13-6-7-15-16(10-13)22-11-21-15/h2-7,10,12H,8-9,11H2,1H3