5-chloranylheptan-2-yl 2-ethyl-1-benzothiophene-3-carbodithioate

Systemtic Name: 5-chloranylheptan-2-yl 2-ethyl-1-benzothiophene-3-carbodithioate Openeye Name: (4-chloro-1-methyl-hexyl) 2-ethylbenzothiophene-3-carbodithioate CAS Name: 2-ethyl-1-benzothiophene-3-carbodithioic acid 5-chloroheptan-2-yl ester IUPAC Name: 5-chloroheptan-2-yl 2-ethyl-1-benzothiophene-3-carbodithioate Traditional Name: 2-ethylbenzothiophene-3-carbodithioic acid (4-chloro-1-methyl-hexyl) ester Formula: C18H23ClS3 MolecularWeight: 371.02322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=C2S1)C(=S)SC(C)CCC(CC)Cl

Isomeric SMILES

CCC1=C(C2=CC=CC=C2S1)C(=S)SC(C)CCC(CC)Cl

InChI

InChI=1S/C18H23ClS3/c1-4-13(19)11-10-12(3)21-18(20)17-14-8-6-7-9-16(14)22-15(17)5-2/h6-9,12-13H,4-5,10-11H2,1-3H3