3-[(3,4,5-triethanoylphenyl)carbamothioylsulfanyl]propanoic acid

Systemtic Name: 3-[(3,4,5-triethanoylphenyl)carbamothioylsulfanyl]propanoic acid Openeye Name: 3-[(3,4,5-triacetylphenyl)carbamothioylsulfanyl]propanoic acid CAS Name: 3-[[sulfanylidene-(3,4,5-triacetylanilino)methyl]thio]propanoic acid IUPAC Name: 3-[(3,4,5-triacetylphenyl)carbamothioylsulfanyl]propanoic acid Traditional Name: 3-[(3,4,5-triacetylphenyl)thiocarbamoylthio]propionic acid Formula: C16H17NO5S2 MolecularWeight: 367.43988

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC(=C1C(=O)C)C(=O)C)NC(=S)SCCC(=O)O

Isomeric SMILES

CC(=O)C1=CC(=CC(=C1C(=O)C)C(=O)C)NC(=S)SCCC(=O)O

InChI

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