S-[1-(5-oxidanylidene-6,7,8,9-tetrahydrobenzo[7]annulen-6-yl)pyrrolidin-3-yl] benzenecarbothioate

Systemtic Name: S-[1-(5-oxidanylidene-6,7,8,9-tetrahydrobenzo[7]annulen-6-yl)pyrrolidin-3-yl] benzenecarbothioate Openeye Name: S-[1-(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-6-yl)pyrrolidin-3-yl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[1-(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-6-yl)-3-pyrrolidinyl] ester IUPAC Name: S-[1-(5-oxo-6,7,8,9-tetrahydrobenzo[7]annulen-6-yl)pyrrolidin-3-yl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[1-(5-keto-6,7,8,9-tetrahydrobenzocyclohepten-6-yl)pyrrolidin-3-yl] ester Formula: C22H23NO2S MolecularWeight: 365.48852

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)C2=CC=CC=C2C1)N3CCC(C3)SC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CC(C(=O)C2=CC=CC=C2C1)N3CCC(C3)SC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H23NO2S/c24-21-19-11-5-4-7-16(19)10-6-12-20(21)23-14-13-18(15-23)26-22(25)17-8-2-1-3-9-17/h1-5,7-9,11,18,20H,6,10,12-15H2