[(6Z)-1-thiacyclodec-6-en-3,8-diyn-5-yl] 2-(9H-pyrido[3,4-b]indol-1-yl)ethanoate

Systemtic Name: [(6Z)-1-thiacyclodec-6-en-3,8-diyn-5-yl] 2-(9H-pyrido[3,4-b]indol-1-yl)ethanoate Openeye Name: [(6Z)-1-thiacyclodec-6-en-3,8-diyn-5-yl] 2-(9H-pyrido[3,4-b]indol-1-yl)acetate CAS Name: 2-(9H-pyrido[3,4-b]indol-1-yl)acetic acid [(6Z)-1-thiacyclodec-6-en-3,8-diyn-5-yl] ester IUPAC Name: [(6Z)-1-thiacyclodec-6-en-3,8-diyn-5-yl] 2-(9H-pyrido[3,4-b]indol-1-yl)acetate Traditional Name: 2-(9H-$b-carbolin-1-yl)acetic acid [(6Z)-1-thiacyclodec-6-en-3,8-diyn-5-yl] ester Formula: C22H16N2O2S MolecularWeight: 372.43964

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Descriptors Computed from Structure

Canonical SMILES:

C1C#CC=CC(C#CCS1)OC(=O)CC2=NC=CC3=C2NC4=CC=CC=C34

Isomeric SMILES

C1C#C/C=C\C(C#CCS1)OC(=O)CC2=NC=CC3=C2NC4=CC=CC=C34

InChI

InChI=1S/C22H16N2O2S/c25-21(26-16-7-2-1-5-13-27-14-6-8-16)15-20-22-18(11-12-23-20)17-9-3-4-10-19(17)24-22/h2-4,7,9-12,16,24H,13-15H2/b7-2-