methyl 5-(4-cyclopropylphenyl)carbonyl-6-methylsulfanyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate

Systemtic Name: methyl 5-(4-cyclopropylphenyl)carbonyl-6-methylsulfanyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate Openeye Name: methyl 5-(4-cyclopropylbenzoyl)-6-methylsulfanyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate CAS Name: 5-[(4-cyclopropylphenyl)-oxomethyl]-6-(methylthio)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid methyl ester IUPAC Name: methyl 5-(4-cyclopropylbenzoyl)-6-methylsulfanyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate Traditional Name: 5-(4-cyclopropylbenzoyl)-6-(methylthio)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid methyl ester Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN2C1=CC(=C2C(=O)C3=CC=C(C=C3)C4CC4)SC

Isomeric SMILES

COC(=O)C1CCN2C1=CC(=C2C(=O)C3=CC=C(C=C3)C4CC4)SC

InChI

InChI=1S/C20H21NO3S/c1-24-20(23)15-9-10-21-16(15)11-17(25-2)18(21)19(22)14-7-5-13(6-8-14)12-3-4-12/h5-8,11-12,15H,3-4,9-10H2,1-2H3