4-[(2-methoxycarbonylphenyl)carbamothioylsulfanyl]butanoic acid

Systemtic Name: 4-[(2-methoxycarbonylphenyl)carbamothioylsulfanyl]butanoic acid Openeye Name: 4-[(2-methoxycarbonylphenyl)carbamothioylsulfanyl]butanoic acid CAS Name: 4-[[(2-methoxycarbonylanilino)-sulfanylidenemethyl]thio]butanoic acid IUPAC Name: 4-[(2-methoxycarbonylphenyl)carbamothioylsulfanyl]butanoic acid Traditional Name: 4-[(2-carbomethoxyphenyl)thiocarbamoylthio]butyric acid Formula: C13H15NO4S2 MolecularWeight: 313.3925

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)SCCCC(=O)O

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)SCCCC(=O)O

InChI

InChI=1S/C13H15NO4S2/c1-18-12(17)9-5-2-3-6-10(9)14-13(19)20-8-4-7-11(15)16/h2-3,5-6H,4,7-8H2,1H3,(H,14,19)(H,15,16)