3,3-dibutyl-7-chloranyl-2,5-dihydro-1-benzothiepin-4-one

Systemtic Name: 3,3-dibutyl-7-chloranyl-2,5-dihydro-1-benzothiepin-4-one Openeye Name: 3,3-dibutyl-7-chloro-2,5-dihydro-1-benzothiepin-4-one CAS Name: 3,3-dibutyl-7-chloro-2,5-dihydro-1-benzothiepin-4-one IUPAC Name: 3,3-dibutyl-7-chloro-2,5-dihydro-1-benzothiepin-4-one Traditional Name: 3,3-dibutyl-7-chloro-2,5-dihydro-1-benzothiepin-4-one Formula: C18H25ClOS MolecularWeight: 324.9085

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CSC2=C(CC1=O)C=C(C=C2)Cl)CCCC

Isomeric SMILES

CCCCC1(CSC2=C(CC1=O)C=C(C=C2)Cl)CCCC

InChI

InChI=1S/C18H25ClOS/c1-3-5-9-18(10-6-4-2)13-21-16-8-7-15(19)11-14(16)12-17(18)20/h7-8,11H,3-6,9-10,12-13H2,1-2H3