butyl 2-[methyl(thiophen-2-ylmethyl)carbamothioyl]sulfanylethanoate

Systemtic Name: butyl 2-[methyl(thiophen-2-ylmethyl)carbamothioyl]sulfanylethanoate Openeye Name: butyl 2-[methyl(2-thienylmethyl)carbamothioyl]sulfanylacetate CAS Name: 2-[[[methyl(thiophen-2-ylmethyl)amino]-sulfanylidenemethyl]thio]acetic acid butyl ester IUPAC Name: butyl 2-[methyl(thiophen-2-ylmethyl)carbamothioyl]sulfanylacetate Traditional Name: 2-[[methyl(2-thenyl)thiocarbamoyl]thio]acetic acid butyl ester Formula: C13H19NO2S3 MolecularWeight: 317.49046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC(=S)N(C)CC1=CC=CS1

Isomeric SMILES

CCCCOC(=O)CSC(=S)N(C)CC1=CC=CS1

InChI

InChI=1S/C13H19NO2S3/c1-3-4-7-16-12(15)10-19-13(17)14(2)9-11-6-5-8-18-11/h5-6,8H,3-4,7,9-10H2,1-2H3