5-[2-azanyl-1-oxidanyl-1-oxidanylidene-3-(9H-thioxanthen-9-yl)propan-2-yl]thiophene-2-carboxylic acid

Systemtic Name: 5-[2-azanyl-1-oxidanyl-1-oxidanylidene-3-(9H-thioxanthen-9-yl)propan-2-yl]thiophene-2-carboxylic acid Openeye Name: 5-[1-amino-2-hydroxy-2-oxo-1-(9H-thioxanthen-9-ylmethyl)ethyl]thiophene-2-carboxylic acid CAS Name: 5-[2-amino-1-hydroxy-1-oxo-3-(9H-thioxanthen-9-yl)propan-2-yl]-2-thiophenecarboxylic acid IUPAC Name: 5-[2-amino-1-hydroxy-1-oxo-3-(9H-thioxanthen-9-yl)propan-2-yl]thiophene-2-carboxylic acid Traditional Name: 5-[1-amino-2-hydroxy-2-keto-1-(9H-thioxanthen-9-ylmethyl)ethyl]-2-thenoic acid Formula: C21H17NO4S2 MolecularWeight: 411.49398

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(C3=CC=CC=C3S2)CC(C4=CC=C(S4)C(=O)O)(C(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C3S2)CC(C4=CC=C(S4)C(=O)O)(C(=O)O)N

InChI

InChI=1S/C21H17NO4S2/c22-21(20(25)26,18-10-9-17(28-18)19(23)24)11-14-12-5-1-3-7-15(12)27-16-8-4-2-6-13(14)16/h1-10,14H,11,22H2,(H,23,24)(H,25,26)