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

Systemtic Name: 3-[2-azanyl-1-oxidanyl-1-oxidanylidene-3-(9H-thioxanthen-9-yl)propan-2-yl]cyclobutane-1-carboxylic acid Openeye Name: 3-[1-amino-2-hydroxy-2-oxo-1-(9H-thioxanthen-9-ylmethyl)ethyl]cyclobutanecarboxylic acid CAS Name: 3-[2-amino-1-hydroxy-1-oxo-3-(9H-thioxanthen-9-yl)propan-2-yl]-1-cyclobutanecarboxylic acid IUPAC Name: 3-[2-amino-1-hydroxy-1-oxo-3-(9H-thioxanthen-9-yl)propan-2-yl]cyclobutane-1-carboxylic acid Traditional Name: 3-[1-amino-2-hydroxy-2-keto-1-(9H-thioxanthen-9-ylmethyl)ethyl]cyclobutanecarboxylic acid Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC1C(CC2C3=CC=CC=C3SC4=CC=CC=C24)(C(=O)O)N)C(=O)O

Isomeric SMILES

C1C(CC1C(CC2C3=CC=CC=C3SC4=CC=CC=C24)(C(=O)O)N)C(=O)O

InChI

InChI=1S/C21H21NO4S/c22-21(20(25)26,13-9-12(10-13)19(23)24)11-16-14-5-1-3-7-17(14)27-18-8-4-2-6-15(16)18/h1-8,12-13,16H,9-11,22H2,(H,23,24)(H,25,26)