2-[2-[(4-aminophenyl)amino]ethanoylsulfanyl]butanedioic acid

Systemtic Name: 2-[2-[(4-aminophenyl)amino]ethanoylsulfanyl]butanedioic acid Openeye Name: 2-[2-(4-aminoanilino)acetyl]sulfanylbutanedioic acid CAS Name: 2-[[2-(4-aminoanilino)-1-oxoethyl]thio]butanedioic acid IUPAC Name: 2-[2-(4-aminoanilino)acetyl]sulfanylbutanedioic acid Traditional Name: 2-[[2-(4-aminoanilino)acetyl]thio]succinic acid Formula: C12H14N2O5S MolecularWeight: 298.31496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N)NCC(=O)SC(CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1N)NCC(=O)SC(CC(=O)O)C(=O)O

InChI

InChI=1S/C12H14N2O5S/c13-7-1-3-8(4-2-7)14-6-11(17)20-9(12(18)19)5-10(15)16/h1-4,9,14H,5-6,13H2,(H,15,16)(H,18,19)