[2-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] 4-oxidanylbenzoate

Systemtic Name: [2-[[2-(2-azanyl-2-oxidanylidene-ethyl)sulfanylphenyl]amino]-2-oxidanylidene-ethyl] 4-oxidanylbenzoate Openeye Name: [2-[2-(2-amino-2-oxo-ethyl)sulfanylanilino]-2-oxo-ethyl] 4-hydroxybenzoate CAS Name: 4-hydroxybenzoic acid [2-[2-[(2-amino-2-oxoethyl)thio]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl] 4-hydroxybenzoate Traditional Name: 4-hydroxybenzoic acid [2-[2-[(2-amino-2-keto-ethyl)thio]anilino]-2-keto-ethyl] ester Formula: C17H16N2O5S MolecularWeight: 360.38434

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)COC(=O)C2=CC=C(C=C2)O)SCC(=O)N

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)COC(=O)C2=CC=C(C=C2)O)SCC(=O)N

InChI

InChI=1S/C17H16N2O5S/c18-15(21)10-25-14-4-2-1-3-13(14)19-16(22)9-24-17(23)11-5-7-12(20)8-6-11/h1-8,20H,9-10H2,(H2,18,21)(H,19,22)