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

Systemtic Name: 4-[2-azanyl-1-oxidanyl-1-oxidanylidene-3-(9H-thioxanthen-9-yl)propan-2-yl]cubane-1-carboxylic acid Openeye Name: 4-[1-amino-2-hydroxy-2-oxo-1-(9H-thioxanthen-9-ylmethyl)ethyl]cubane-1-carboxylic acid CAS Name: 4-[2-amino-1-hydroxy-1-oxo-3-(9H-thioxanthen-9-yl)propan-2-yl]-1-cubanecarboxylic acid IUPAC Name: 4-[2-amino-1-hydroxy-1-oxo-3-(9H-thioxanthen-9-yl)propan-2-yl]cubane-1-carboxylic acid Traditional Name: 4-[1-amino-2-hydroxy-2-keto-1-(9H-thioxanthen-9-ylmethyl)ethyl]cubane-1-carboxylic acid Formula: C25H21NO4S MolecularWeight: 431.50354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C3S2)CC(C(=O)O)(C45C6C7C4C8C5C6C78C(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C3S2)CC(C(=O)O)(C45C6C7C4C8C5C6C78C(=O)O)N

InChI

InChI=1S/C25H21NO4S/c26-23(21(27)28,25-18-15-19(25)17-20(25)16(18)24(15,17)22(29)30)9-12-10-5-1-3-7-13(10)31-14-8-4-2-6-11(12)14/h1-8,12,15-20H,9,26H2,(H,27,28)(H,29,30)