methyl 4-[[4-(1,3-dithiolan-2-yl)phenyl]carbonylamino]butanoate

Systemtic Name: methyl 4-[[4-(1,3-dithiolan-2-yl)phenyl]carbonylamino]butanoate Openeye Name: methyl 4-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]butanoate CAS Name: 4-[[[4-(1,3-dithiolan-2-yl)phenyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]butanoate Traditional Name: 4-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]butyric acid methyl ester Formula: C15H19NO3S2 MolecularWeight: 325.44626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)C1=CC=C(C=C1)C2SCCS2

Isomeric SMILES

COC(=O)CCCNC(=O)C1=CC=C(C=C1)C2SCCS2

InChI

InChI=1S/C15H19NO3S2/c1-19-13(17)3-2-8-16-14(18)11-4-6-12(7-5-11)15-20-9-10-21-15/h4-7,15H,2-3,8-10H2,1H3,(H,16,18)