2-(9-methoxy-5-oxidanylidene-6H-benzo[b][1]benzothiepin-3-yl)propanoic acid

Systemtic Name: 2-(9-methoxy-5-oxidanylidene-6H-benzo[b][1]benzothiepin-3-yl)propanoic acid Openeye Name: 2-(9-methoxy-5-oxo-6H-benzo[b][1]benzothiepin-3-yl)propanoic acid CAS Name: 2-(9-methoxy-5-oxo-6H-benzo[b][1]benzothiepin-3-yl)propanoic acid IUPAC Name: 2-(9-methoxy-5-oxo-6H-benzo[b][1]benzothiepin-3-yl)propanoic acid Traditional Name: 2-(5-keto-9-methoxy-6H-benzo[b][1]benzothiepin-3-yl)propionic acid Formula: C18H16O4S MolecularWeight: 328.38224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)SC3=C(CC2=O)C=CC(=C3)OC)C(=O)O

Isomeric SMILES

CC(C1=CC2=C(C=C1)SC3=C(CC2=O)C=CC(=C3)OC)C(=O)O

InChI

InChI=1S/C18H16O4S/c1-10(18(20)21)11-4-6-16-14(7-11)15(19)8-12-3-5-13(22-2)9-17(12)23-16/h3-7,9-10H,8H2,1-2H3,(H,20,21)