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

Systemtic Name: 2-(2-ethyl-5-oxidanylidene-6H-benzo[b][1]benzothiepin-3-yl)ethanoic acid Openeye Name: 2-(2-ethyl-5-oxo-6H-benzo[b][1]benzothiepin-3-yl)acetic acid CAS Name: 2-(2-ethyl-5-oxo-6H-benzo[b][1]benzothiepin-3-yl)acetic acid IUPAC Name: 2-(2-ethyl-5-oxo-6H-benzo[b][1]benzothiepin-3-yl)acetic acid Traditional Name: 2-(2-ethyl-5-keto-6H-benzo[b][1]benzothiepin-3-yl)acetic acid Formula: C18H16O3S MolecularWeight: 312.38284

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=O)CC3=CC=CC=C3SC2=C1)CC(=O)O

Isomeric SMILES

CCC1=C(C=C2C(=O)CC3=CC=CC=C3SC2=C1)CC(=O)O

InChI

InChI=1S/C18H16O3S/c1-2-11-9-17-14(7-13(11)10-18(20)21)15(19)8-12-5-3-4-6-16(12)22-17/h3-7,9H,2,8,10H2,1H3,(H,20,21)