2-azanyl-3-(9H-xanthen-9-ylsulfanyl)propanoic acid

Systemtic Name: 2-azanyl-3-(9H-xanthen-9-ylsulfanyl)propanoic acid Openeye Name: 2-amino-3-(9H-xanthen-9-ylsulfanyl)propanoic acid CAS Name: 2-amino-3-(9H-xanthen-9-ylthio)propanoic acid IUPAC Name: 2-amino-3-(9H-xanthen-9-ylsulfanyl)propanoic acid Traditional Name: 2-amino-3-(9H-xanthen-9-ylthio)propionic acid Formula: C16H15NO3S MolecularWeight: 301.3602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)SCC(C(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)SCC(C(=O)O)N

InChI

InChI=1S/C16H15NO3S/c17-12(16(18)19)9-21-15-10-5-1-3-7-13(10)20-14-8-4-2-6-11(14)15/h1-8,12,15H,9,17H2,(H,18,19)