5-oxidanylidene-4H-thiepine-3-carboxylic acid

Systemtic Name: 5-oxidanylidene-4H-thiepine-3-carboxylic acid Openeye Name: 5-oxo-4H-thiepine-3-carboxylic acid CAS Name: 5-oxo-4H-thiepin-3-carboxylic acid IUPAC Name: 5-oxo-4H-thiepine-3-carboxylic acid Traditional Name: 5-keto-4H-thiepin-3-carboxylic acid Formula: C7H6O3S MolecularWeight: 170.18574

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C=CSC=C1C(=O)O

Isomeric SMILES

C1C(=O)C=CSC=C1C(=O)O

InChI

InChI=1S/C7H6O3S/c8-6-1-2-11-4-5(3-6)7(9)10/h1-2,4H,3H2,(H,9,10)