S-(1-pent-4-enoylpyrrolidin-3-yl) benzenecarbothioate

Systemtic Name: S-(1-pent-4-enoylpyrrolidin-3-yl) benzenecarbothioate Openeye Name: S-(1-pent-4-enoylpyrrolidin-3-yl) benzenecarbothioate CAS Name: benzenecarbothioic acid S-[1-(1-oxopent-4-enyl)-3-pyrrolidinyl] ester IUPAC Name: S-(1-pent-4-enoylpyrrolidin-3-yl) benzenecarbothioate Traditional Name: thiobenzoic acid S-(1-pent-4-enoylpyrrolidin-3-yl) ester Formula: C16H19NO2S MolecularWeight: 289.39256

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCC(=O)N1CCC(C1)SC(=O)C2=CC=CC=C2

Isomeric SMILES

C=CCCC(=O)N1CCC(C1)SC(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H19NO2S/c1-2-3-9-15(18)17-11-10-14(12-17)20-16(19)13-7-5-4-6-8-13/h2,4-8,14H,1,3,9-12H2