2-(5-oxidanylidene-3,4-dihydro-2H-1-benzothiepin-4-yl)ethanoic acid

Systemtic Name: 2-(5-oxidanylidene-3,4-dihydro-2H-1-benzothiepin-4-yl)ethanoic acid Openeye Name: 2-(5-oxo-3,4-dihydro-2H-1-benzothiepin-4-yl)acetic acid CAS Name: 2-(5-oxo-3,4-dihydro-2H-1-benzothiepin-4-yl)acetic acid IUPAC Name: 2-(5-oxo-3,4-dihydro-2H-1-benzothiepin-4-yl)acetic acid Traditional Name: 2-(5-keto-3,4-dihydro-2H-1-benzothiepin-4-yl)acetic acid Formula: C12H12O3S MolecularWeight: 236.28688

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2C(=O)C1CC(=O)O

Isomeric SMILES

C1CSC2=CC=CC=C2C(=O)C1CC(=O)O

InChI

InChI=1S/C12H12O3S/c13-11(14)7-8-5-6-16-10-4-2-1-3-9(10)12(8)15/h1-4,8H,5-7H2,(H,13,14)