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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)C2)C(=O)O

Isomeric SMILES

CC(C)(C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)C2)C(=O)O

InChI

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