4-[2-azanyl-1-oxidanyl-1-oxidanylidene-3-(9H-thioxanthen-9-yl)propan-2-yl]benzoic acid

Systemtic Name: 4-[2-azanyl-1-oxidanyl-1-oxidanylidene-3-(9H-thioxanthen-9-yl)propan-2-yl]benzoic acid Openeye Name: 4-[1-amino-2-hydroxy-2-oxo-1-(9H-thioxanthen-9-ylmethyl)ethyl]benzoic acid CAS Name: 4-[2-amino-1-hydroxy-1-oxo-3-(9H-thioxanthen-9-yl)propan-2-yl]benzoic acid IUPAC Name: 4-[2-amino-1-hydroxy-1-oxo-3-(9H-thioxanthen-9-yl)propan-2-yl]benzoic acid Traditional Name: 4-[1-amino-2-hydroxy-2-keto-1-(9H-thioxanthen-9-ylmethyl)ethyl]benzoic acid Formula: C23H19NO4S MolecularWeight: 405.46626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C3S2)CC(C4=CC=C(C=C4)C(=O)O)(C(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C3S2)CC(C4=CC=C(C=C4)C(=O)O)(C(=O)O)N

InChI

InChI=1S/C23H19NO4S/c24-23(22(27)28,15-11-9-14(10-12-15)21(25)26)13-18-16-5-1-3-7-19(16)29-20-8-4-2-6-17(18)20/h1-12,18H,13,24H2,(H,25,26)(H,27,28)