[2-[(3-acetamidophenyl)amino]-1-phosphono-2-sulfanylidene-ethyl]phosphonic acid

Systemtic Name: [2-[(3-acetamidophenyl)amino]-1-phosphono-2-sulfanylidene-ethyl]phosphonic acid Openeye Name: [2-(3-acetamidoanilino)-1-phosphono-2-thioxo-ethyl]phosphonic acid CAS Name: [2-(3-acetamidoanilino)-1-phosphono-2-sulfanylideneethyl]phosphonic acid IUPAC Name: [2-(3-acetamidoanilino)-1-phosphono-2-sulfanylideneethyl]phosphonic acid Traditional Name: [2-(3-acetamidoanilino)-1-phosphono-2-thioxo-ethyl]phosphonic acid Formula: C10H14N2O7P2S MolecularWeight: 368.239882

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)NC(=S)C(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)NC(=S)C(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C10H14N2O7P2S/c1-6(13)11-7-3-2-4-8(5-7)12-9(22)10(20(14,15)16)21(17,18)19/h2-5,10H,1H3,(H,11,13)(H,12,22)(H2,14,15,16)(H2,17,18,19)