2-azanyl-3-(9-phenylthioxanthen-9-yl)sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-(9-phenylthioxanthen-9-yl)sulfanyl-propanoic acid Openeye Name: 2-amino-3-(9-phenylthioxanthen-9-yl)sulfanyl-propanoic acid CAS Name: 2-amino-3-[(9-phenyl-9-thioxanthenyl)thio]propanoic acid IUPAC Name: 2-amino-3-(9-phenylthioxanthen-9-yl)sulfanylpropanoic acid Traditional Name: 2-amino-3-[(9-phenylthioxanthen-9-yl)thio]propionic acid Formula: C22H19NO2S2 MolecularWeight: 393.52176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2(C3=CC=CC=C3SC4=CC=CC=C42)SCC(C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)C2(C3=CC=CC=C3SC4=CC=CC=C42)SCC(C(=O)O)N

InChI

InChI=1S/C22H19NO2S2/c23-18(21(24)25)14-26-22(15-8-2-1-3-9-15)16-10-4-6-12-19(16)27-20-13-7-5-11-17(20)22/h1-13,18H,14,23H2,(H,24,25)