4-[2-(2-acetamidoethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 4-[2-(2-acetamidoethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 4-[2-(2-acetamidoethylamino)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 4-[[2-(2-acetamidoethylamino)-2-oxoethyl]thio]benzoic acid IUPAC Name: 4-[2-(2-acetamidoethylamino)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 4-[[2-(2-acetamidoethylamino)-2-keto-ethyl]thio]benzoic acid Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC(=O)CSC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC(=O)NCCNC(=O)CSC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C13H16N2O4S/c1-9(16)14-6-7-15-12(17)8-20-11-4-2-10(3-5-11)13(18)19/h2-5H,6-8H2,1H3,(H,14,16)(H,15,17)(H,18,19)