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

Systemtic Name: 2-(8-methyl-5-oxidanylidene-6H-benzo[b][1]benzothiepin-3-yl)propanoic acid Openeye Name: 2-(8-methyl-5-oxo-6H-benzo[b][1]benzothiepin-3-yl)propanoic acid CAS Name: 2-(8-methyl-5-oxo-6H-benzo[b][1]benzothiepin-3-yl)propanoic acid IUPAC Name: 2-(8-methyl-5-oxo-6H-benzo[b][1]benzothiepin-3-yl)propanoic acid Traditional Name: 2-(5-keto-8-methyl-6H-benzo[b][1]benzothiepin-3-yl)propionic acid Formula: C18H16O3S MolecularWeight: 312.38284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC3=C(C=C(C=C3)C(C)C(=O)O)C(=O)C2

Isomeric SMILES

CC1=CC2=C(C=C1)SC3=C(C=C(C=C3)C(C)C(=O)O)C(=O)C2

InChI

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