methyl 5-(4-butylsulfanylphenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate

Systemtic Name: methyl 5-(4-butylsulfanylphenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate Openeye Name: methyl 5-(4-butylsulfanylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate CAS Name: 5-[[4-(butylthio)phenyl]-oxomethyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid methyl ester IUPAC Name: methyl 5-(4-butylsulfanylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate Traditional Name: 5-[4-(butylthio)benzoyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid methyl ester Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=C(C=C1)C(=O)C2=CC=C3N2CCC3C(=O)OC

Isomeric SMILES

CCCCSC1=CC=C(C=C1)C(=O)C2=CC=C3N2CCC3C(=O)OC

InChI

InChI=1S/C20H23NO3S/c1-3-4-13-25-15-7-5-14(6-8-15)19(22)18-10-9-17-16(20(23)24-2)11-12-21(17)18/h5-10,16H,3-4,11-13H2,1-2H3