3-[1-(2-carboxyethyl)indol-3-yl]sulfanyl-1H-indole-2-carboxylic acid

Systemtic Name: 3-[1-(2-carboxyethyl)indol-3-yl]sulfanyl-1H-indole-2-carboxylic acid Openeye Name: 3-[1-(2-carboxyethyl)indol-3-yl]sulfanyl-1H-indole-2-carboxylic acid CAS Name: 3-[[1-(2-carboxyethyl)-3-indolyl]thio]-1H-indole-2-carboxylic acid IUPAC Name: 3-[1-(2-carboxyethyl)indol-3-yl]sulfanyl-1H-indole-2-carboxylic acid Traditional Name: 3-[[1-(2-carboxyethyl)indol-3-yl]thio]-1H-indole-2-carboxylic acid Formula: C20H16N2O4S MolecularWeight: 380.41704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(N2)C(=O)O)SC3=CN(C4=CC=CC=C43)CCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(N2)C(=O)O)SC3=CN(C4=CC=CC=C43)CCC(=O)O

InChI

InChI=1S/C20H16N2O4S/c23-17(24)9-10-22-11-16(13-6-2-4-8-15(13)22)27-19-12-5-1-3-7-14(12)21-18(19)20(25)26/h1-8,11,21H,9-10H2,(H,23,24)(H,25,26)