6-(4-nitrophenyl)-2-oxidanylidene-3,5-dihydrothiopyrano[2,3-d][1,3]thiazole-5-carboxylic acid

Systemtic Name: 6-(4-nitrophenyl)-2-oxidanylidene-3,5-dihydrothiopyrano[2,3-d][1,3]thiazole-5-carboxylic acid Openeye Name: 6-(4-nitrophenyl)-2-oxo-3,5-dihydrothiopyrano[2,3-d]thiazole-5-carboxylic acid CAS Name: 6-(4-nitrophenyl)-2-oxo-3,5-dihydrothiopyrano[2,3-d]thiazole-5-carboxylic acid IUPAC Name: 6-(4-nitrophenyl)-2-oxo-3,5-dihydrothiopyrano[2,3-d][1,3]thiazole-5-carboxylic acid Traditional Name: 2-keto-6-(4-nitrophenyl)-3,5-dihydrothiopyrano[2,3-d]thiazole-5-carboxylic acid Formula: C13H8N2O5S2 MolecularWeight: 336.34302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC3=C(NC(=O)S3)SC2C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=CC3=C(NC(=O)S3)SC2C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H8N2O5S2/c16-12(17)10-8(5-9-11(22-10)14-13(18)21-9)6-1-3-7(4-2-6)15(19)20/h1-5,10H,(H,14,18)(H,16,17)