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

Systemtic Name: (2S)-2-(6-oxidanylidene-5H-benzo[b][1]benzothiepin-3-yl)propanoic acid Openeye Name: (2S)-2-(6-oxo-5H-benzo[b][1]benzothiepin-3-yl)propanoic acid CAS Name: (2S)-2-(6-oxo-5H-benzo[b][1]benzothiepin-3-yl)propanoic acid IUPAC Name: (2S)-2-(6-oxo-5H-benzo[b][1]benzothiepin-3-yl)propanoic acid Traditional Name: (2S)-2-(6-keto-5H-benzo[b][1]benzothiepin-3-yl)propionic acid Formula: C17H14O3S MolecularWeight: 298.35626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)C2)C(=O)O

InChI

InChI=1S/C17H14O3S/c1-10(17(19)20)11-6-7-15-12(8-11)9-14(18)13-4-2-3-5-16(13)21-15/h2-8,10H,9H2,1H3,(H,19,20)/t10-/m0/s1