2-(3-ethoxy-6-oxidanylidene-5H-benzo[b][1]benzothiepin-8-yl)propanoic acid

Systemtic Name: 2-(3-ethoxy-6-oxidanylidene-5H-benzo[b][1]benzothiepin-8-yl)propanoic acid Openeye Name: 2-(3-ethoxy-6-oxo-5H-benzo[b][1]benzothiepin-8-yl)propanoic acid CAS Name: 2-(3-ethoxy-6-oxo-5H-benzo[b][1]benzothiepin-8-yl)propanoic acid IUPAC Name: 2-(3-ethoxy-6-oxo-5H-benzo[b][1]benzothiepin-8-yl)propanoic acid Traditional Name: 2-(3-ethoxy-6-keto-5H-benzo[b][1]benzothiepin-8-yl)propionic acid Formula: C19H18O4S MolecularWeight: 342.40882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)SC3=C(C=C(C=C3)C(C)C(=O)O)C(=O)C2

Isomeric SMILES

CCOC1=CC2=C(C=C1)SC3=C(C=C(C=C3)C(C)C(=O)O)C(=O)C2

InChI

InChI=1S/C19H18O4S/c1-3-23-14-5-7-17-13(8-14)10-16(20)15-9-12(11(2)19(21)22)4-6-18(15)24-17/h4-9,11H,3,10H2,1-2H3,(H,21,22)