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

Systemtic Name: 2-(3-methoxy-6-oxidanylidene-5H-benzo[b][1]benzothiepin-8-yl)propanoic acid Openeye Name: 2-(3-methoxy-6-oxo-5H-benzo[b][1]benzothiepin-8-yl)propanoic acid CAS Name: 2-(3-methoxy-6-oxo-5H-benzo[b][1]benzothiepin-8-yl)propanoic acid IUPAC Name: 2-(3-methoxy-6-oxo-5H-benzo[b][1]benzothiepin-8-yl)propanoic acid Traditional Name: 2-(6-keto-3-methoxy-5H-benzo[b][1]benzothiepin-8-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=C(C=C3)OC)C(=O)O

Isomeric SMILES

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

InChI

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