2-(7-methoxy-5-oxidanylidene-6H-benzo[b][1]benzothiepin-3-yl)propanoic acid

Systemtic Name: 2-(7-methoxy-5-oxidanylidene-6H-benzo[b][1]benzothiepin-3-yl)propanoic acid Openeye Name: 2-(7-methoxy-5-oxo-6H-benzo[b][1]benzothiepin-3-yl)propanoic acid CAS Name: 2-(7-methoxy-5-oxo-6H-benzo[b][1]benzothiepin-3-yl)propanoic acid IUPAC Name: 2-(7-methoxy-5-oxo-6H-benzo[b][1]benzothiepin-3-yl)propanoic acid Traditional Name: 2-(5-keto-7-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=CC=CC(=C3CC2=O)OC)C(=O)O

Isomeric SMILES

CC(C1=CC2=C(C=C1)SC3=CC=CC(=C3CC2=O)OC)C(=O)O

InChI

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