2-benzo[b][1]benzothiepin-3-ylpropanoate

Systemtic Name: 2-benzo[b][1]benzothiepin-3-ylpropanoate Openeye Name: 2-benzo[b][1]benzothiepin-3-ylpropanoate CAS Name: 2-(3-benzo[b][1]benzothiepinyl)propanoate IUPAC Name: 2-benzo[b][1]benzothiepin-3-ylpropanoate Traditional Name: 2-benzo[b][1]benzothiepin-3-ylpropionate Formula: C17H13O2S- MolecularWeight: 281.34892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)SC3=CC=CC=C3C=C2)C(=O)[O-]

Isomeric SMILES

CC(C1=CC2=C(C=C1)SC3=CC=CC=C3C=C2)C(=O)[O-]

InChI

InChI=1S/C17H14O2S/c1-11(17(18)19)13-8-9-16-14(10-13)7-6-12-4-2-3-5-15(12)20-16/h2-11H,1H3,(H,18,19)/p-1