2-[[9-(4-methylphenyl)thioxanthen-9-yl]amino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[[9-(4-methylphenyl)thioxanthen-9-yl]amino]-3-sulfanyl-propanoic acid Openeye Name: 2-[[9-(p-tolyl)thioxanthen-9-yl]amino]-3-sulfanyl-propanoic acid CAS Name: 3-mercapto-2-[[9-(4-methylphenyl)-9-thioxanthenyl]amino]propanoic acid IUPAC Name: 2-[[9-(4-methylphenyl)thioxanthen-9-yl]amino]-3-sulfanylpropanoic acid Traditional Name: 3-mercapto-2-[[9-(p-tolyl)thioxanthen-9-yl]amino]propionic acid Formula: C23H21NO2S2 MolecularWeight: 407.54834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2(C3=CC=CC=C3SC4=CC=CC=C42)NC(CS)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2(C3=CC=CC=C3SC4=CC=CC=C42)NC(CS)C(=O)O

InChI

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