2-[[2-[(2-oxidanylidene-2-sulfanyl-ethyl)carbamoyl]phenyl]carbonylamino]ethanethioic S-acid

Systemtic Name: 2-[[2-[(2-oxidanylidene-2-sulfanyl-ethyl)carbamoyl]phenyl]carbonylamino]ethanethioic S-acid Openeye Name: 2-[[2-[(2-oxo-2-sulfanyl-ethyl)carbamoyl]benzoyl]amino]ethanethioic S-acid CAS Name: 2-[[[2-[[(2-mercapto-2-oxoethyl)amino]-oxomethyl]phenyl]-oxomethyl]amino]ethanethioic S-acid IUPAC Name: 2-[[2-[(2-oxo-2-sulfanylethyl)carbamoyl]benzoyl]amino]ethanethioic S-acid Traditional Name: 2-[[2-[(2-keto-2-mercapto-ethyl)carbamoyl]benzoyl]amino]thioacetic acid Formula: C12H12N2O4S2 MolecularWeight: 312.36468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCC(=O)S)C(=O)NCC(=O)S

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCC(=O)S)C(=O)NCC(=O)S

InChI

InChI=1S/C12H12N2O4S2/c15-9(19)5-13-11(17)7-3-1-2-4-8(7)12(18)14-6-10(16)20/h1-4H,5-6H2,(H,13,17)(H,14,18)(H,15,19)(H,16,20)