3-chloranyl-5-ethynyl-9-methoxy-benzo[b][1]benzothiepine

Systemtic Name: 3-chloranyl-5-ethynyl-9-methoxy-benzo[b][1]benzothiepine Openeye Name: 3-chloro-5-ethynyl-9-methoxy-benzo[b][1]benzothiepine CAS Name: 3-chloro-5-ethynyl-9-methoxybenzo[b][1]benzothiepin IUPAC Name: 3-chloro-5-ethynyl-9-methoxybenzo[b][1]benzothiepine Traditional Name: 3-chloro-5-ethynyl-9-methoxy-benzo[b][1]benzothiepin Formula: C17H11ClOS MolecularWeight: 298.78664

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C3=C(S2)C=CC(=C3)Cl)C#C

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C3=C(S2)C=CC(=C3)Cl)C#C

InChI

InChI=1S/C17H11ClOS/c1-3-11-8-12-4-6-14(19-2)10-17(12)20-16-7-5-13(18)9-15(11)16/h1,4-10H,2H3