2-[(9-phenylthioxanthen-9-yl)amino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[(9-phenylthioxanthen-9-yl)amino]-3-sulfanyl-propanoic acid Openeye Name: 2-[(9-phenylthioxanthen-9-yl)amino]-3-sulfanyl-propanoic acid CAS Name: 3-mercapto-2-[(9-phenyl-9-thioxanthenyl)amino]propanoic acid IUPAC Name: 2-[(9-phenylthioxanthen-9-yl)amino]-3-sulfanylpropanoic acid Traditional Name: 3-mercapto-2-[(9-phenylthioxanthen-9-yl)amino]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)NC(CS)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2(C3=CC=CC=C3SC4=CC=CC=C42)NC(CS)C(=O)O

InChI

InChI=1S/C22H19NO2S2/c24-21(25)18(14-26)23-22(15-8-2-1-3-9-15)16-10-4-6-12-19(16)27-20-13-7-5-11-17(20)22/h1-13,18,23,26H,14H2,(H,24,25)