3,5-diacetamido-2-(2-carboxyphenyl)sulfanyl-benzoic acid

Systemtic Name: 3,5-diacetamido-2-(2-carboxyphenyl)sulfanyl-benzoic acid Openeye Name: 3,5-diacetamido-2-(2-carboxyphenyl)sulfanyl-benzoic acid CAS Name: 3,5-diacetamido-2-[(2-carboxyphenyl)thio]benzoic acid IUPAC Name: 3,5-diacetamido-2-(2-carboxyphenyl)sulfanylbenzoic acid Traditional Name: 3,5-diacetamido-2-[(2-carboxyphenyl)thio]benzoic acid Formula: C18H16N2O6S MolecularWeight: 388.39444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C(=C1)C(=O)O)SC2=CC=CC=C2C(=O)O)NC(=O)C

Isomeric SMILES

CC(=O)NC1=CC(=C(C(=C1)C(=O)O)SC2=CC=CC=C2C(=O)O)NC(=O)C

InChI

InChI=1S/C18H16N2O6S/c1-9(21)19-11-7-13(18(25)26)16(14(8-11)20-10(2)22)27-15-6-4-3-5-12(15)17(23)24/h3-8H,1-2H3,(H,19,21)(H,20,22)(H,23,24)(H,25,26)