2-tridecyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one

Systemtic Name: 2-tridecyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Openeye Name: 2-tridecyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one CAS Name: 2-tridecyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one IUPAC Name: 2-tridecyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Traditional Name: 2-tridecyl-3,5-dihydro-2H-1,5-benzothiazepin-4-one Formula: C22H35NOS MolecularWeight: 361.5844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1CC(=O)NC2=CC=CC=C2S1

Isomeric SMILES

CCCCCCCCCCCCCC1CC(=O)NC2=CC=CC=C2S1

InChI

InChI=1S/C22H35NOS/c1-2-3-4-5-6-7-8-9-10-11-12-15-19-18-22(24)23-20-16-13-14-17-21(20)25-19/h13-14,16-17,19H,2-12,15,18H2,1H3,(H,23,24)