2-(5-oxidanylidene-6H-benzo[b][1]benzothiepin-3-yl)propanoate

Systemtic Name: 2-(5-oxidanylidene-6H-benzo[b][1]benzothiepin-3-yl)propanoate Openeye Name: 2-(5-oxo-6H-benzo[b][1]benzothiepin-3-yl)propanoate CAS Name: 2-(5-oxo-6H-benzo[b][1]benzothiepin-3-yl)propanoate IUPAC Name: 2-(5-oxo-6H-benzo[b][1]benzothiepin-3-yl)propanoate Traditional Name: 2-(5-keto-6H-benzo[b][1]benzothiepin-3-yl)propionate Formula: C17H13O3S- MolecularWeight: 297.34832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)SC3=CC=CC=C3CC2=O)C(=O)[O-]

Isomeric SMILES

CC(C1=CC2=C(C=C1)SC3=CC=CC=C3CC2=O)C(=O)[O-]

InChI

InChI=1S/C17H14O3S/c1-10(17(19)20)11-6-7-16-13(8-11)14(18)9-12-4-2-3-5-15(12)21-16/h2-8,10H,9H2,1H3,(H,19,20)/p-1