2-[(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)sulfanyl]propanoic acid

Systemtic Name: 2-[(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)sulfanyl]propanoic acid Openeye Name: 2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)sulfanyl]propanoic acid CAS Name: 2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)thio]propanoic acid IUPAC Name: 2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)sulfanyl]propanoic acid Traditional Name: 2-[(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)thio]propionic acid Formula: C17H15ClO2S2 MolecularWeight: 350.8828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1CC2=C(C=CC(=C2)Cl)SC3=CC=CC=C13

Isomeric SMILES

CC(C(=O)O)SC1CC2=C(C=CC(=C2)Cl)SC3=CC=CC=C13

InChI

InChI=1S/C17H15ClO2S2/c1-10(17(19)20)21-16-9-11-8-12(18)6-7-14(11)22-15-5-3-2-4-13(15)16/h2-8,10,16H,9H2,1H3,(H,19,20)