3-[(2,3,5-triethanoylphenyl)carbamothioylsulfanyl]propanoic acid

Systemtic Name: 3-[(2,3,5-triethanoylphenyl)carbamothioylsulfanyl]propanoic acid Openeye Name: 3-[(2,3,5-triacetylphenyl)carbamothioylsulfanyl]propanoic acid CAS Name: 3-[[sulfanylidene-(2,3,5-triacetylanilino)methyl]thio]propanoic acid IUPAC Name: 3-[(2,3,5-triacetylphenyl)carbamothioylsulfanyl]propanoic acid Traditional Name: 3-[(2,3,5-triacetylphenyl)thiocarbamoylthio]propionic acid Formula: C16H17NO5S2 MolecularWeight: 367.43988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C(=C1)NC(=S)SCCC(=O)O)C(=O)C)C(=O)C

Isomeric SMILES

CC(=O)C1=CC(=C(C(=C1)NC(=S)SCCC(=O)O)C(=O)C)C(=O)C

InChI

InChI=1S/C16H17NO5S2/c1-8(18)11-6-12(9(2)19)15(10(3)20)13(7-11)17-16(23)24-5-4-14(21)22/h6-7H,4-5H2,1-3H3,(H,17,23)(H,21,22)