2-azanyl-3-[9-(3-methylphenyl)thioxanthen-9-yl]sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-[9-(3-methylphenyl)thioxanthen-9-yl]sulfanyl-propanoic acid Openeye Name: 2-amino-3-[9-(m-tolyl)thioxanthen-9-yl]sulfanyl-propanoic acid CAS Name: 2-amino-3-[[9-(3-methylphenyl)-9-thioxanthenyl]thio]propanoic acid IUPAC Name: 2-amino-3-[9-(3-methylphenyl)thioxanthen-9-yl]sulfanylpropanoic acid Traditional Name: 2-amino-3-[[9-(m-tolyl)thioxanthen-9-yl]thio]propionic acid Formula: C23H21NO2S2 MolecularWeight: 407.54834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2(C3=CC=CC=C3SC4=CC=CC=C42)SCC(C(=O)O)N

Isomeric SMILES

CC1=CC=CC(=C1)C2(C3=CC=CC=C3SC4=CC=CC=C42)SCC(C(=O)O)N

InChI

InChI=1S/C23H21NO2S2/c1-15-7-6-8-16(13-15)23(27-14-19(24)22(25)26)17-9-2-4-11-20(17)28-21-12-5-3-10-18(21)23/h2-13,19H,14,24H2,1H3,(H,25,26)