2-azanyl-3-[9-(4-methylphenyl)thioxanthen-9-yl]oxy-propanoic acid

Systemtic Name: 2-azanyl-3-[9-(4-methylphenyl)thioxanthen-9-yl]oxy-propanoic acid Openeye Name: 2-amino-3-[9-(p-tolyl)thioxanthen-9-yl]oxy-propanoic acid CAS Name: 2-amino-3-[[9-(4-methylphenyl)-9-thioxanthenyl]oxy]propanoic acid IUPAC Name: 2-amino-3-[9-(4-methylphenyl)thioxanthen-9-yl]oxypropanoic acid Traditional Name: 2-amino-3-[9-(p-tolyl)thioxanthen-9-yl]oxy-propionic acid Formula: C23H21NO3S MolecularWeight: 391.48274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21NO3S/c1-15-10-12-16(13-11-15)23(27-14-19(24)22(25)26)17-6-2-4-8-20(17)28-21-9-5-3-7-18(21)23/h2-13,19H,14,24H2,1H3,(H,25,26)