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

Systemtic Name: 3-[2-azanyl-1-oxidanyl-1-oxidanylidene-3-(9-sulfanylidenexanthen-1-yl)propan-2-yl]cyclobutane-1-carboxylic acid Openeye Name: 3-[1-amino-2-hydroxy-2-oxo-1-[(9-thioxoxanthen-1-yl)methyl]ethyl]cyclobutanecarboxylic acid CAS Name: 3-[2-amino-1-hydroxy-1-oxo-3-(9-sulfanylidene-1-xanthenyl)propan-2-yl]-1-cyclobutanecarboxylic acid IUPAC Name: 3-[2-amino-1-hydroxy-1-oxo-3-(9-sulfanylidenexanthen-1-yl)propan-2-yl]cyclobutane-1-carboxylic acid Traditional Name: 3-[1-amino-2-hydroxy-2-keto-1-[(9-thioxoxanthen-1-yl)methyl]ethyl]cyclobutanecarboxylic acid Formula: C21H19NO5S MolecularWeight: 397.44426

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC1C(CC2=C3C(=CC=C2)OC4=CC=CC=C4C3=S)(C(=O)O)N)C(=O)O

Isomeric SMILES

C1C(CC1C(CC2=C3C(=CC=C2)OC4=CC=CC=C4C3=S)(C(=O)O)N)C(=O)O

InChI

InChI=1S/C21H19NO5S/c22-21(20(25)26,13-8-12(9-13)19(23)24)10-11-4-3-7-16-17(11)18(28)14-5-1-2-6-15(14)27-16/h1-7,12-13H,8-10,22H2,(H,23,24)(H,25,26)