3-butyl-3-ethyl-2H-1-benzothiepine

Systemtic Name: 3-butyl-3-ethyl-2H-1-benzothiepine Openeye Name: 3-butyl-3-ethyl-2H-1-benzothiepine CAS Name: 3-butyl-3-ethyl-2H-1-benzothiepin IUPAC Name: 3-butyl-3-ethyl-2H-1-benzothiepine Traditional Name: 3-butyl-3-ethyl-2H-1-benzothiepin Formula: C16H22S MolecularWeight: 246.41088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CSC2=CC=CC=C2C=C1)CC

Isomeric SMILES

CCCCC1(CSC2=CC=CC=C2C=C1)CC

InChI

InChI=1S/C16H22S/c1-3-5-11-16(4-2)12-10-14-8-6-7-9-15(14)17-13-16/h6-10,12H,3-5,11,13H2,1-2H3